2-(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate

C23H19FO4 — CID 122660327

IUPAC2-(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc2c(ccc3cc(CCOC(=O)C(=C)C)ccc32)c1F
InChIInChI=1S/C23H19FO4/c1-4-21(25)28-20-10-9-18-17-7-5-15(11-12-27-23(26)14(2)3)13-16(17)6-8-19(18)22(20)24/h4-10,13H,1-2,11-12H2,3H3
InChIKeyOMVLNKSGWKZQNU-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.89
Rot. Bonds6

About 2-(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate

2-(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate (PubChem CID 122660327) has the molecular formula C23H19FO4 and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate
PubChem CID122660327
Molecular FormulaC23H19FO4
Molecular Weight378.40 g/mol
Exact Mass378.13
IUPAC Name2-(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc2c(ccc3cc(CCOC(=O)C(=C)C)ccc32)c1F
InChIInChI=1S/C23H19FO4/c1-4-21(25)28-20-10-9-18-17-7-5-15(11-12-27-23(26)14(2)3)13-16(17)6-8-19(18)22(20)24/h4-10,13H,1-2,11-12H2,3H3
InChIKeyOMVLNKSGWKZQNU-UHFFFAOYSA-N
XLogP4.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate
CID 89309007
(6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate
CID 91028345
[2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 122660275
[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate
CID 88614619
[3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (E)-3-[4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate
CID 157348787
[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate
CID 155219793
[7-(4-acetyloxybutyl)phenanthren-2-yl] 2-methylprop-2-enoate
CID 123250548
[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate;[4-(3,5-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl] prop-2-enoate;[3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxopropyl] 2-methylprop-2-enoate;2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate;[4-(4-prop-2-enoyloxyphenyl)phenyl]methyl prop-2-enoate;3-[4-(4-prop-2-enoyloxyphenyl)phenyl]propyl prop-2-enoate
CID 159536784
[7-[3-(2-methylprop-2-enoyloxy)propyl]phenanthren-2-yl] 2,2-dimethylpropanoate
CID 123815612
4-(7-propanoyloxyphenanthren-2-yl)butyl 2-methylprop-2-enoate
CID 123989055
[4-[4-[4-[3-[3,4-di(prop-2-enoyloxy)phenyl]propanoyloxy]phenyl]-2,3-difluorophenyl]phenyl] 2-methylprop-2-enoate
CID 126611178

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate (CID 122660327) is 2-(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate is C=CC(=O)Oc1ccc2c(ccc3cc(CCOC(=O)C(=C)C)ccc32)c1F.
What is the InChIKey of 2-(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate?
The InChIKey is OMVLNKSGWKZQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FO4/c1-4-21(25)28-20-10-9-18-17-7-5-15(11-12-27-23(26)14(2)3)13-16(17)6-8-19(18)22(20)24/h4-10,13H,1-2,11-12H2,3H3.
What are the key properties of 2-(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate?
2-(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate has a molecular weight of 378.40 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-7-prop-2-enoyloxyphenanthren-2-yl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 122660327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).