1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene

C17H16O2 — CID 86037545

IUPAC1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C17H16O2/c1-18-14-7-3-12(4-8-14)16-11-17(16)13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3
InChIKeyKTYQKLPRUMCWSB-UHFFFAOYSA-N
MW252.31 g/mol
LogP4.02
Rot. Bonds4

About 1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene

1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene (PubChem CID 86037545) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene
PubChem CID86037545
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C17H16O2/c1-18-14-7-3-12(4-8-14)16-11-17(16)13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3
InChIKeyKTYQKLPRUMCWSB-UHFFFAOYSA-N
XLogP4.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.02
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-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
CID 13444266
1-methoxy-4-[2-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene
CID 15519665
1-(113C)methoxy-4-methylbenzene
CID 166176950
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
3-fluoro-2-(4-methoxyphenyl)-1H-indene
CID 102296700
1-methoxy-4-[2-(4-methoxyphenyl)-4-phenylcyclopenta-1,3-dien-1-yl]benzene
CID 102201867
2,7-bis(4-methoxyphenyl)-9H-fluorene
CID 67050058
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
3-(4-methoxyphenyl)-1,2-dihydropyridin-4-amine
CID 86341477
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene?
The IUPAC name of 1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene (CID 86037545) is 1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene.
What is the SMILES notation for 1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene?
The canonical SMILES for 1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene is COc1ccc(C2=C(c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of 1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene?
The InChIKey is KTYQKLPRUMCWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-18-14-7-3-12(4-8-14)16-11-17(16)13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3.
What are the key properties of 1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene?
1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene has a molecular weight of 252.31 g/mol, XLogP of 4.02, 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)cyclopropen-1-yl]benzene is sourced from PubChem (CID 86037545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).