3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one

C24H18O2 — CID 150304868

IUPAC3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
SMILESCOc1ccc(C2=C(c3ccccc3)C(=O)C(c3ccccc3)=C2)cc1
InChIInChI=1S/C24H18O2/c1-26-20-14-12-18(13-15-20)21-16-22(17-8-4-2-5-9-17)24(25)23(21)19-10-6-3-7-11-19/h2-16H,1H3
InChIKeyGKJKMOLEGVFRTK-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.27
Rot. Bonds4

About 3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one

3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one (PubChem CID 150304868) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
PubChem CID150304868
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
SMILESCOc1ccc(C2=C(c3ccccc3)C(=O)C(c3ccccc3)=C2)cc1
InChIInChI=1S/C24H18O2/c1-26-20-14-12-18(13-15-20)21-16-22(17-8-4-2-5-9-17)24(25)23(21)19-10-6-3-7-11-19/h2-16H,1H3
InChIKeyGKJKMOLEGVFRTK-UHFFFAOYSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenoxybenzene;2,3,5-triphenylcyclopenta-2,4-dien-1-one
CID 174428112
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-(4-methoxyphenyl)-6-(2-phenylethenyl)cyclohexa-2,5-diene-1,4-dione
CID 91561910
2,3-bis(4-methoxyphenyl)inden-1-one
CID 10991496
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione
CID 163039669
4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one
CID 56649060
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
2,3-dimethoxy-5-(4-methoxyphenyl)-6-methylcyclohexa-2,5-diene-1,4-dione
CID 53495227
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one (CID 150304868) is 3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one is COc1ccc(C2=C(c3ccccc3)C(=O)C(c3ccccc3)=C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one?
The InChIKey is GKJKMOLEGVFRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O2/c1-26-20-14-12-18(13-15-20)21-16-22(17-8-4-2-5-9-17)24(25)23(21)19-10-6-3-7-11-19/h2-16H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one?
3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one has a molecular weight of 338.41 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one is sourced from PubChem (CID 150304868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).