2-[8-fluoro-7-[2-(2-methylprop-2-enoyloxy)ethyl]phenanthren-2-yl]ethyl 2-methylprop-2-enoate;2-[1-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl]ethyl 2-methylprop-2-enoate;[8-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl] 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl prop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) 2-methylprop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate

C160H131F7O28 — CID 158186258

IUPAC2-[8-fluoro-7-[2-(2-methylprop-2-enoyloxy)ethyl]phenanthren-2-yl]ethyl 2-methylprop-2-enoate;2-[1-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl]ethyl 2-methylprop-2-enoate;[8-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl] 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl prop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) 2-methylprop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate
SMILESC=C(C)C(=O)OCCc1ccc2c(ccc3c(F)c(CCOC(=O)C(=C)C)ccc32)c1.C=CC(=O)OCCc1ccc2c(ccc3c(F)c(CCOC(=O)C(=C)C)ccc32)c1.C=CC(=O)OCCc1ccc2c(ccc3cc(OC(=O)C(=C)C)ccc32)c1F.C=CC(=O)OCCc1ccc2c(ccc3cc(OC(=O)C=C)ccc32)c1F.C=CC(=O)Oc1ccc2c(ccc3c(F)c(CCOC(=O)C(=C)C)ccc32)c1.C=CC(=O)Oc1ccc2c(ccc3c(F)c(OC(=O)C=C)ccc32)c1.C=CC(=O)Oc1ccc2c(ccc3cc(OC(=O)C(=C)C)ccc32)c1F
InChIInChI=1S/C26H25FO4.C25H23FO4.2C23H19FO4.C22H17FO4.C21H15FO4.C20H13FO4/c1-16(2)25(28)30-13-11-18-5-8-21-20(15-18)7-10-23-22(21)9-6-19(24(23)27)12-14-31-26(29)17(3)4;1-4-23(27)29-13-11-17-5-8-20-19(15-17)7-10-22-21(20)9-6-18(24(22)26)12-14-30-25(28)16(2)3;1-4-21(25)28-17-7-10-18-16(13-17)6-9-20-19(18)8-5-15(22(20)24)11-12-27-23(26)14(2)3;1-4-21(25)27-12-11-15-5-8-19-18-10-7-17(28-23(26)14(2)3)13-16(18)6-9-20(19)22(15)24;1-3-20(24)26-12-11-14-5-8-18-17-10-7-16(27-21(25)4-2)13-15(17)6-9-19(18)22(14)23;1-4-19(23)26-18-10-9-16-15-8-6-14(25-21(24)12(2)3)11-13(15)5-7-17(16)20(18)22;1-3-18(22)24-13-6-8-14-12(11-13)5-7-16-15(14)9-10-17(20(16)21)25-19(23)4-2/h5-10,15H,1,3,11-14H2,2,4H3;4-10,15H,1-2,11-14H2,3H3;2*4-10,13H,1-2,11-12H2,3H3;3-10,13H,1-2,11-12H2;4-11H,1-2H2,3H3;3-11H,1-2H2
InChIKeyFZEDJUJPMDRUHS-UHFFFAOYSA-N
MW2634.77 g/mol
LogP33.81
Rot. Bonds42

About 2-[8-fluoro-7-[2-(2-methylprop-2-enoyloxy)ethyl]phenanthren-2-yl]ethyl 2-methylprop-2-enoate;2-[1-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl]ethyl 2-methylprop-2-enoate;[8-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl] 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl prop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) 2-methylprop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate

2-[8-fluoro-7-[2-(2-methylprop-2-enoyloxy)ethyl]phenanthren-2-yl]ethyl 2-methylprop-2-enoate;2-[1-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl]ethyl 2-methylprop-2-enoate;[8-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl] 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl prop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) 2-methylprop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate (PubChem CID 158186258) has the molecular formula C160H131F7O28 and a molecular weight of 2634.77 g/mol. Its IUPAC name is 2-[8-fluoro-7-[2-(2-methylprop-2-enoyloxy)ethyl]phenanthren-2-yl]ethyl 2-methylprop-2-enoate;2-[1-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl]ethyl 2-methylprop-2-enoate;[8-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl] 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl prop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) 2-methylprop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate.

Molecular Properties

Compound Name2-[8-fluoro-7-[2-(2-methylprop-2-enoyloxy)ethyl]phenanthren-2-yl]ethyl 2-methylprop-2-enoate;2-[1-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl]ethyl 2-methylprop-2-enoate;[8-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl] 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl prop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) 2-methylprop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate
PubChem CID158186258
Molecular FormulaC160H131F7O28
Molecular Weight2634.77 g/mol
Exact Mass2632.87
IUPAC Name2-[8-fluoro-7-[2-(2-methylprop-2-enoyloxy)ethyl]phenanthren-2-yl]ethyl 2-methylprop-2-enoate;2-[1-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl]ethyl 2-methylprop-2-enoate;[8-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl] 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl prop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) 2-methylprop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate
SMILESC=C(C)C(=O)OCCc1ccc2c(ccc3c(F)c(CCOC(=O)C(=C)C)ccc32)c1.C=CC(=O)OCCc1ccc2c(ccc3c(F)c(CCOC(=O)C(=C)C)ccc32)c1.C=CC(=O)OCCc1ccc2c(ccc3cc(OC(=O)C(=C)C)ccc32)c1F.C=CC(=O)OCCc1ccc2c(ccc3cc(OC(=O)C=C)ccc32)c1F.C=CC(=O)Oc1ccc2c(ccc3c(F)c(CCOC(=O)C(=C)C)ccc32)c1.C=CC(=O)Oc1ccc2c(ccc3c(F)c(OC(=O)C=C)ccc32)c1.C=CC(=O)Oc1ccc2c(ccc3cc(OC(=O)C(=C)C)ccc32)c1F
InChIInChI=1S/C26H25FO4.C25H23FO4.2C23H19FO4.C22H17FO4.C21H15FO4.C20H13FO4/c1-16(2)25(28)30-13-11-18-5-8-21-20(15-18)7-10-23-22(21)9-6-19(24(23)27)12-14-31-26(29)17(3)4;1-4-23(27)29-13-11-17-5-8-20-19(15-17)7-10-22-21(20)9-6-18(24(22)26)12-14-30-25(28)16(2)3;1-4-21(25)28-17-7-10-18-16(13-17)6-9-20-19(18)8-5-15(22(20)24)11-12-27-23(26)14(2)3;1-4-21(25)27-12-11-15-5-8-19-18-10-7-17(28-23(26)14(2)3)13-16(18)6-9-20(19)22(15)24;1-3-20(24)26-12-11-14-5-8-18-17-10-7-16(27-21(25)4-2)13-15(17)6-9-19(18)22(14)23;1-4-19(23)26-18-10-9-16-15-8-6-14(25-21(24)12(2)3)11-13(15)5-7-17(16)20(18)22;1-3-18(22)24-13-6-8-14-12(11-13)5-7-16-15(14)9-10-17(20(16)21)25-19(23)4-2/h5-10,15H,1,3,11-14H2,2,4H3;4-10,15H,1-2,11-14H2,3H3;2*4-10,13H,1-2,11-12H2,3H3;3-10,13H,1-2,11-12H2;4-11H,1-2H2,3H3;3-11H,1-2H2
InChIKeyFZEDJUJPMDRUHS-UHFFFAOYSA-N
XLogP33.81
TPSA368.20 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds42
Heavy Atoms195
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002634.77
LogP ≤ 533.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[8-fluoro-7-[2-(2-methylprop-2-enoyloxy)ethyl]phenanthren-2-yl]ethyl 2-methylprop-2-enoate;2-[1-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl]ethyl 2-methylprop-2-enoate;[8-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl] 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl prop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) 2-methylprop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[8-fluoro-7-[2-(2-methylprop-2-enoyloxy)ethyl]phenanthren-2-yl]ethyl 2-methylprop-2-enoate;2-[1-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl]ethyl 2-methylprop-2-enoate;[8-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl] 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl prop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) 2-methylprop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate?
The IUPAC name of 2-[8-fluoro-7-[2-(2-methylprop-2-enoyloxy)ethyl]phenanthren-2-yl]ethyl 2-methylprop-2-enoate;2-[1-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl]ethyl 2-methylprop-2-enoate;[8-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl] 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl prop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) 2-methylprop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate (CID 158186258) is 2-[8-fluoro-7-[2-(2-methylprop-2-enoyloxy)ethyl]phenanthren-2-yl]ethyl 2-methylprop-2-enoate;2-[1-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl]ethyl 2-methylprop-2-enoate;[8-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl] 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl prop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) 2-methylprop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate.
What is the SMILES notation for 2-[8-fluoro-7-[2-(2-methylprop-2-enoyloxy)ethyl]phenanthren-2-yl]ethyl 2-methylprop-2-enoate;2-[1-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl]ethyl 2-methylprop-2-enoate;[8-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl] 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl prop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) 2-methylprop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate?
The canonical SMILES for 2-[8-fluoro-7-[2-(2-methylprop-2-enoyloxy)ethyl]phenanthren-2-yl]ethyl 2-methylprop-2-enoate;2-[1-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl]ethyl 2-methylprop-2-enoate;[8-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl] 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl prop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) 2-methylprop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate is C=C(C)C(=O)OCCc1ccc2c(ccc3c(F)c(CCOC(=O)C(=C)C)ccc32)c1.C=CC(=O)OCCc1ccc2c(ccc3c(F)c(CCOC(=O)C(=C)C)ccc32)c1.C=CC(=O)OCCc1ccc2c(ccc3cc(OC(=O)C(=C)C)ccc32)c1F.C=CC(=O)OCCc1ccc2c(ccc3cc(OC(=O)C=C)ccc32)c1F.C=CC(=O)Oc1ccc2c(ccc3c(F)c(CCOC(=O)C(=C)C)ccc32)c1.C=CC(=O)Oc1ccc2c(ccc3c(F)c(OC(=O)C=C)ccc32)c1.C=CC(=O)Oc1ccc2c(ccc3cc(OC(=O)C(=C)C)ccc32)c1F.
What is the InChIKey of 2-[8-fluoro-7-[2-(2-methylprop-2-enoyloxy)ethyl]phenanthren-2-yl]ethyl 2-methylprop-2-enoate;2-[1-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl]ethyl 2-methylprop-2-enoate;[8-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl] 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl prop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) 2-methylprop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate?
The InChIKey is FZEDJUJPMDRUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FO4.C25H23FO4.2C23H19FO4.C22H17FO4.C21H15FO4.C20H13FO4/c1-16(2)25(28)30-13-11-18-5-8-21-20(15-18)7-10-23-22(21)9-6-19(24(23)27)12-14-31-26(29)17(3)4;1-4-23(27)29-13-11-17-5-8-20-19(15-17)7-10-22-21(20)9-6-18(24(22)26)12-14-30-25(28)16(2)3;1-4-21(25)28-17-7-10-18-16(13-17)6-9-20-19(18)8-5-15(22(20)24)11-12-27-23(26)14(2)3;1-4-21(25)27-12-11-15-5-8-19-18-10-7-17(28-23(26)14(2)3)13-16(18)6-9-20(19)22(15)24;1-3-20(24)26-12-11-14-5-8-18-17-10-7-16(27-21(25)4-2)13-15(17)6-9-19(18)22(14)23;1-4-19(23)26-18-10-9-16-15-8-6-14(25-21(24)12(2)3)11-13(15)5-7-17(16)20(18)22;1-3-18(22)24-13-6-8-14-12(11-13)5-7-16-15(14)9-10-17(20(16)21)25-19(23)4-2/h5-10,15H,1,3,11-14H2,2,4H3;4-10,15H,1-2,11-14H2,3H3;2*4-10,13H,1-2,11-12H2,3H3;3-10,13H,1-2,11-12H2;4-11H,1-2H2,3H3;3-11H,1-2H2.
What are the key properties of 2-[8-fluoro-7-[2-(2-methylprop-2-enoyloxy)ethyl]phenanthren-2-yl]ethyl 2-methylprop-2-enoate;2-[1-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl]ethyl 2-methylprop-2-enoate;[8-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl] 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl prop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) 2-methylprop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate?
2-[8-fluoro-7-[2-(2-methylprop-2-enoyloxy)ethyl]phenanthren-2-yl]ethyl 2-methylprop-2-enoate;2-[1-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl]ethyl 2-methylprop-2-enoate;[8-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl] 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl prop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) 2-methylprop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate has a molecular weight of 2634.77 g/mol, XLogP of 33.81, 42 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-fluoro-7-[2-(2-methylprop-2-enoyloxy)ethyl]phenanthren-2-yl]ethyl 2-methylprop-2-enoate;2-[1-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl]ethyl 2-methylprop-2-enoate;[8-fluoro-7-(2-prop-2-enoyloxyethyl)phenanthren-2-yl] 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate;2-(1-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl prop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) 2-methylprop-2-enoate;(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate is sourced from PubChem (CID 158186258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).