(5Z)-5-ethylidene-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one

C15H16O2 — CID 10421306

IUPAC(5Z)-5-ethylidene-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one
SMILESC/C=C1/CC(C)=C(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C15H16O2/c1-4-11-9-10(2)14(15(11)16)12-5-7-13(17-3)8-6-12/h4-8H,9H2,1-3H3/b11-4-
InChIKeySSKQNBFVJZJUTM-WCIBSUBMSA-N
MW228.29 g/mol
LogP3.39
Rot. Bonds2

About (5Z)-5-ethylidene-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one

(5Z)-5-ethylidene-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one (PubChem CID 10421306) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (5Z)-5-ethylidene-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(5Z)-5-ethylidene-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one
PubChem CID10421306
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(5Z)-5-ethylidene-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one
SMILESC/C=C1/CC(C)=C(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C15H16O2/c1-4-11-9-10(2)14(15(11)16)12-5-7-13(17-3)8-6-12/h4-8H,9H2,1-3H3/b11-4-
InChIKeySSKQNBFVJZJUTM-WCIBSUBMSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-5-(4-methoxyphenyl)-6-methylcyclohexa-2,5-diene-1,4-dione
CID 53495227
(4E)-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-3-methylcyclopent-2-en-1-one
CID 132509690
2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione
CID 139590812
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008
2,3-bis(4-methoxyphenyl)inden-1-one
CID 10991496
1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene
CID 86037545
(Z)-but-2-ene;1-methoxy-4-methylbenzene
CID 143799535
(2E,6Z)-2-[(4-methoxyphenyl)methylidene]-6-[(4-phenylphenyl)methylidene]cyclohexan-1-one
CID 2313566
4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one
CID 56649060
2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde
CID 57326285
1-(113C)methoxy-4-methylbenzene
CID 166176950
3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one
CID 605366

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-ethylidene-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one?
The IUPAC name of (5Z)-5-ethylidene-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one (CID 10421306) is (5Z)-5-ethylidene-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for (5Z)-5-ethylidene-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one?
The canonical SMILES for (5Z)-5-ethylidene-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one is C/C=C1/CC(C)=C(c2ccc(OC)cc2)C1=O.
What is the InChIKey of (5Z)-5-ethylidene-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one?
The InChIKey is SSKQNBFVJZJUTM-WCIBSUBMSA-N. The full InChI is InChI=1S/C15H16O2/c1-4-11-9-10(2)14(15(11)16)12-5-7-13(17-3)8-6-12/h4-8H,9H2,1-3H3/b11-4-.
What are the key properties of (5Z)-5-ethylidene-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one?
(5Z)-5-ethylidene-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one has a molecular weight of 228.29 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-ethylidene-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 10421306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).