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

C19H18O2 — CID 15519665

IUPAC1-methoxy-4-[2-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)CC=C2)cc1
InChIInChI=1S/C19H18O2/c1-20-16-10-6-14(7-11-16)18-4-3-5-19(18)15-8-12-17(21-2)13-9-15/h3-4,6-13H,5H2,1-2H3
InChIKeyFDYJVBVTOLSZMS-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.57
Rot. Bonds4

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

1-methoxy-4-[2-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene (PubChem CID 15519665) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-methoxy-4-[2-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[2-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene
PubChem CID15519665
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name1-methoxy-4-[2-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)CC=C2)cc1
InChIInChI=1S/C19H18O2/c1-20-16-10-6-14(7-11-16)18-4-3-5-19(18)15-8-12-17(21-2)13-9-15/h3-4,6-13H,5H2,1-2H3
InChIKeyFDYJVBVTOLSZMS-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.57
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

1-chloro-4-[2-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene
CID 173197359
1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene
CID 86037545
1-methoxy-4-[2-(4-methoxyphenyl)-4-phenylcyclopenta-1,3-dien-1-yl]benzene
CID 102201867
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-methoxy-4-methylbenzene;propane
CID 142064987
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
CID 13444266
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
3-(4-methoxyphenyl)-1,2-dihydropyridin-4-amine
CID 86341477
1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydropentalene
CID 11001074
4-[4-(4-methoxyphenyl)-2H-pyrrol-3-yl]-6-methylbenzene-1,3-diol
CID 138526165

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene?
The IUPAC name of 1-methoxy-4-[2-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene (CID 15519665) is 1-methoxy-4-[2-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene.
What is the SMILES notation for 1-methoxy-4-[2-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene?
The canonical SMILES for 1-methoxy-4-[2-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene is COc1ccc(C2=C(c3ccc(OC)cc3)CC=C2)cc1.
What is the InChIKey of 1-methoxy-4-[2-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene?
The InChIKey is FDYJVBVTOLSZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-20-16-10-6-14(7-11-16)18-4-3-5-19(18)15-8-12-17(21-2)13-9-15/h3-4,6-13H,5H2,1-2H3.
What are the key properties of 1-methoxy-4-[2-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene?
1-methoxy-4-[2-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene has a molecular weight of 278.35 g/mol, XLogP of 4.57, 4 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)cyclopenta-1,3-dien-1-yl]benzene is sourced from PubChem (CID 15519665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).