1-methoxy-4-[2-(4-methoxyphenyl)-4-phenylcyclopenta-1,3-dien-1-yl]benzene

C25H22O2 — CID 102201867

IUPAC1-methoxy-4-[2-(4-methoxyphenyl)-4-phenylcyclopenta-1,3-dien-1-yl]benzene
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)CC(c3ccccc3)=C2)cc1
InChIInChI=1S/C25H22O2/c1-26-22-12-8-19(9-13-22)24-16-21(18-6-4-3-5-7-18)17-25(24)20-10-14-23(27-2)15-11-20/h3-16H,17H2,1-2H3
InChIKeyUJRFLYUGMVFSQF-UHFFFAOYSA-N
MW354.45 g/mol
LogP6.10
Rot. Bonds5

About 1-methoxy-4-[2-(4-methoxyphenyl)-4-phenylcyclopenta-1,3-dien-1-yl]benzene

1-methoxy-4-[2-(4-methoxyphenyl)-4-phenylcyclopenta-1,3-dien-1-yl]benzene (PubChem CID 102201867) has the molecular formula C25H22O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-methoxy-4-[2-(4-methoxyphenyl)-4-phenylcyclopenta-1,3-dien-1-yl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[2-(4-methoxyphenyl)-4-phenylcyclopenta-1,3-dien-1-yl]benzene
PubChem CID102201867
Molecular FormulaC25H22O2
Molecular Weight354.45 g/mol
Exact Mass354.16
IUPAC Name1-methoxy-4-[2-(4-methoxyphenyl)-4-phenylcyclopenta-1,3-dien-1-yl]benzene
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)CC(c3ccccc3)=C2)cc1
InChIInChI=1S/C25H22O2/c1-26-22-12-8-19(9-13-22)24-16-21(18-6-4-3-5-7-18)17-25(24)20-10-14-23(27-2)15-11-20/h3-16H,17H2,1-2H3
InChIKeyUJRFLYUGMVFSQF-UHFFFAOYSA-N
XLogP6.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 56.10
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

dichlorozirconium;(2,4-diphenylcyclopenta-1,4-dien-1-yl)benzene
CID 174625406
1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
CID 13444266
1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene
CID 86037545
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
1-methoxy-4-[2-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene
CID 15519665
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 150304868
sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene
CID 162208171
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-(4-methoxyphenyl)-4-phenylcyclopenta-1,3-dien-1-yl]benzene?
The IUPAC name of 1-methoxy-4-[2-(4-methoxyphenyl)-4-phenylcyclopenta-1,3-dien-1-yl]benzene (CID 102201867) is 1-methoxy-4-[2-(4-methoxyphenyl)-4-phenylcyclopenta-1,3-dien-1-yl]benzene.
What is the SMILES notation for 1-methoxy-4-[2-(4-methoxyphenyl)-4-phenylcyclopenta-1,3-dien-1-yl]benzene?
The canonical SMILES for 1-methoxy-4-[2-(4-methoxyphenyl)-4-phenylcyclopenta-1,3-dien-1-yl]benzene is COc1ccc(C2=C(c3ccc(OC)cc3)CC(c3ccccc3)=C2)cc1.
What is the InChIKey of 1-methoxy-4-[2-(4-methoxyphenyl)-4-phenylcyclopenta-1,3-dien-1-yl]benzene?
The InChIKey is UJRFLYUGMVFSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O2/c1-26-22-12-8-19(9-13-22)24-16-21(18-6-4-3-5-7-18)17-25(24)20-10-14-23(27-2)15-11-20/h3-16H,17H2,1-2H3.
What are the key properties of 1-methoxy-4-[2-(4-methoxyphenyl)-4-phenylcyclopenta-1,3-dien-1-yl]benzene?
1-methoxy-4-[2-(4-methoxyphenyl)-4-phenylcyclopenta-1,3-dien-1-yl]benzene has a molecular weight of 354.45 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-(4-methoxyphenyl)-4-phenylcyclopenta-1,3-dien-1-yl]benzene is sourced from PubChem (CID 102201867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).