[2-methyl-4-[1-(3-methyl-4-prop-2-enoyloxyphenyl)cyclopentyl]phenyl] prop-2-enoate

C25H26O4 — CID 59739110

IUPAC[2-methyl-4-[1-(3-methyl-4-prop-2-enoyloxyphenyl)cyclopentyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C2(c3ccc(OC(=O)C=C)c(C)c3)CCCC2)cc1C
InChIInChI=1S/C25H26O4/c1-5-23(26)28-21-11-9-19(15-17(21)3)25(13-7-8-14-25)20-10-12-22(18(4)16-20)29-24(27)6-2/h5-6,9-12,15-16H,1-2,7-8,13-14H2,3-4H3
InChIKeyZOKYNJPHAVWVDQ-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.35
Rot. Bonds6

About [2-methyl-4-[1-(3-methyl-4-prop-2-enoyloxyphenyl)cyclopentyl]phenyl] prop-2-enoate

[2-methyl-4-[1-(3-methyl-4-prop-2-enoyloxyphenyl)cyclopentyl]phenyl] prop-2-enoate (PubChem CID 59739110) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is [2-methyl-4-[1-(3-methyl-4-prop-2-enoyloxyphenyl)cyclopentyl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[2-methyl-4-[1-(3-methyl-4-prop-2-enoyloxyphenyl)cyclopentyl]phenyl] prop-2-enoate
PubChem CID59739110
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Name[2-methyl-4-[1-(3-methyl-4-prop-2-enoyloxyphenyl)cyclopentyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C2(c3ccc(OC(=O)C=C)c(C)c3)CCCC2)cc1C
InChIInChI=1S/C25H26O4/c1-5-23(26)28-21-11-9-19(15-17(21)3)25(13-7-8-14-25)20-10-12-22(18(4)16-20)29-24(27)6-2/h5-6,9-12,15-16H,1-2,7-8,13-14H2,3-4H3
InChIKeyZOKYNJPHAVWVDQ-UHFFFAOYSA-N
XLogP5.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.35
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'}

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Related Compounds

[1-hydroxy-3-[4-[1-[4-(3-hydroxy-3-prop-2-enoyloxypropoxy)-3-methylphenyl]cyclohexyl]-2-methylphenoxy]propyl] prop-2-enoate
CID 102581574
[4-[1-(4-methoxy-3-methylphenyl)cyclopentyl]-2-methylphenyl] 3-acetylbenzoate
CID 23547410
[4-[1-[4-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]-N-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]phenyl]anilino]phenyl]cyclohexyl]phenyl] prop-2-enoate
CID 59832713
[4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylphenyl] 4-acetylnaphthalene-1-carboxylate
CID 153279975
[4-[1-[4-[4-[1-(3,4-dimethylphenyl)cyclohexyl]-2-methylphenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] 2-fluoroethyl carbonate
CID 90295507
[2-methyl-4-(2-phenylpropan-2-yl)phenyl] prop-2-enoate
CID 20820433
(4-butan-2-yl-2-methylphenyl) prop-2-enoate
CID 23528168
[4-[4-(2,3-dimethylphenyl)-N-[4-[1-[4-[4-(2,3-dimethylphenyl)-N-(4-prop-2-enoyloxyphenyl)anilino]phenyl]cyclohexyl]phenyl]anilino]phenyl] prop-2-enoate
CID 58205408
1-[2-methyl-4-[2-[3-methyl-4-(2-prop-2-enoyloxypropoxy)phenyl]-1,3-dihydroinden-2-yl]phenoxy]propan-2-yl prop-2-enoate
CID 175433710
1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde
CID 82127349
(4-ethenyl-2-methylphenyl) 2-sulfanylideneacetate
CID 19069570
[4-[1-(3,4-dimethylphenyl)cyclohexyl]-2-methylphenyl] methyl carbonate;methyl [4-[2-(4-methylphenyl)propan-2-yl]phenyl] carbonate
CID 158694343

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[1-(3-methyl-4-prop-2-enoyloxyphenyl)cyclopentyl]phenyl] prop-2-enoate?
The IUPAC name of [2-methyl-4-[1-(3-methyl-4-prop-2-enoyloxyphenyl)cyclopentyl]phenyl] prop-2-enoate (CID 59739110) is [2-methyl-4-[1-(3-methyl-4-prop-2-enoyloxyphenyl)cyclopentyl]phenyl] prop-2-enoate.
What is the SMILES notation for [2-methyl-4-[1-(3-methyl-4-prop-2-enoyloxyphenyl)cyclopentyl]phenyl] prop-2-enoate?
The canonical SMILES for [2-methyl-4-[1-(3-methyl-4-prop-2-enoyloxyphenyl)cyclopentyl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(C2(c3ccc(OC(=O)C=C)c(C)c3)CCCC2)cc1C.
What is the InChIKey of [2-methyl-4-[1-(3-methyl-4-prop-2-enoyloxyphenyl)cyclopentyl]phenyl] prop-2-enoate?
The InChIKey is ZOKYNJPHAVWVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c1-5-23(26)28-21-11-9-19(15-17(21)3)25(13-7-8-14-25)20-10-12-22(18(4)16-20)29-24(27)6-2/h5-6,9-12,15-16H,1-2,7-8,13-14H2,3-4H3.
What are the key properties of [2-methyl-4-[1-(3-methyl-4-prop-2-enoyloxyphenyl)cyclopentyl]phenyl] prop-2-enoate?
[2-methyl-4-[1-(3-methyl-4-prop-2-enoyloxyphenyl)cyclopentyl]phenyl] prop-2-enoate has a molecular weight of 390.48 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[1-(3-methyl-4-prop-2-enoyloxyphenyl)cyclopentyl]phenyl] prop-2-enoate is sourced from PubChem (CID 59739110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).