[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate

C23H20O4 — CID 88614619

IUPAC[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1ccc2c(ccc3cc(OC(=O)C(=C)C)ccc32)c1
InChIInChI=1S/C23H20O4/c1-14(2)22(24)26-13-16-5-9-20-17(11-16)6-7-18-12-19(8-10-21(18)20)27-23(25)15(3)4/h5-12H,1,3,13H2,2,4H3
InChIKeyZPDVMCAEXHBHRJ-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.09
Rot. Bonds5

About [7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate

[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate (PubChem CID 88614619) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is [7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate
PubChem CID88614619
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1ccc2c(ccc3cc(OC(=O)C(=C)C)ccc32)c1
InChIInChI=1S/C23H20O4/c1-14(2)22(24)26-13-16-5-9-20-17(11-16)6-7-18-12-19(8-10-21(18)20)27-23(25)15(3)4/h5-12H,1,3,13H2,2,4H3
InChIKeyZPDVMCAEXHBHRJ-UHFFFAOYSA-N
XLogP5.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.09
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

[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 14047796
(6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate
CID 91028345
[7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 139921074
(7-pentylphenanthren-2-yl) 2-methylprop-2-enoate
CID 88945223
[7-(4-acetyloxybutyl)phenanthren-2-yl] 2-methylprop-2-enoate
CID 123250548
[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl] 2-methylpropanoate
CID 126555024
(6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium
CID 59524611
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethyl)phenyl]phenyl]methyl prop-2-enoate
CID 161314193
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl] (E)-2-methyl-3-[4-(3-methyl-2-oxobut-3-enyl)phenyl]prop-2-enoate
CID 89210906
[4-(2-methylprop-2-enoyloxymethoxy)phenyl] 6-(2-methylprop-2-enoyloxymethyl)naphthalene-2-carboxylate
CID 58471446
[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

Frequently Asked Questions

What is the IUPAC name of [7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate?
The IUPAC name of [7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate (CID 88614619) is [7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1ccc2c(ccc3cc(OC(=O)C(=C)C)ccc32)c1.
What is the InChIKey of [7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate?
The InChIKey is ZPDVMCAEXHBHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4/c1-14(2)22(24)26-13-16-5-9-20-17(11-16)6-7-18-12-19(8-10-21(18)20)27-23(25)15(3)4/h5-12H,1,3,13H2,2,4H3.
What are the key properties of [7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate?
[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate has a molecular weight of 360.41 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 88614619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).