1-[(4-methoxyphenyl)-phenylmethylidene]cyclopropa[b]naphthalene

C25H18O — CID 11461778

IUPAC1-[(4-methoxyphenyl)-phenylmethylidene]cyclopropa[b]naphthalene
SMILESCOc1ccc(C(=C2c3cc4ccccc4cc32)c2ccccc2)cc1
InChIInChI=1S/C25H18O/c1-26-21-13-11-18(12-14-21)24(17-7-3-2-4-8-17)25-22-15-19-9-5-6-10-20(19)16-23(22)25/h2-16H,1H3
InChIKeyLMICQWHPBBBTJO-UHFFFAOYSA-N
MW334.42 g/mol
LogP6.17
Rot. Bonds3

About 1-[(4-methoxyphenyl)-phenylmethylidene]cyclopropa[b]naphthalene

1-[(4-methoxyphenyl)-phenylmethylidene]cyclopropa[b]naphthalene (PubChem CID 11461778) has the molecular formula C25H18O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)-phenylmethylidene]cyclopropa[b]naphthalene.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)-phenylmethylidene]cyclopropa[b]naphthalene
PubChem CID11461778
Molecular FormulaC25H18O
Molecular Weight334.42 g/mol
Exact Mass334.14
IUPAC Name1-[(4-methoxyphenyl)-phenylmethylidene]cyclopropa[b]naphthalene
SMILESCOc1ccc(C(=C2c3cc4ccccc4cc32)c2ccccc2)cc1
InChIInChI=1S/C25H18O/c1-26-21-13-11-18(12-14-21)24(17-7-3-2-4-8-17)25-22-15-19-9-5-6-10-20(19)16-23(22)25/h2-16H,1H3
InChIKeyLMICQWHPBBBTJO-UHFFFAOYSA-N
XLogP6.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)-phenylmethylidene]cyclopropa[b]naphthalene?
The IUPAC name of 1-[(4-methoxyphenyl)-phenylmethylidene]cyclopropa[b]naphthalene (CID 11461778) is 1-[(4-methoxyphenyl)-phenylmethylidene]cyclopropa[b]naphthalene.
What is the SMILES notation for 1-[(4-methoxyphenyl)-phenylmethylidene]cyclopropa[b]naphthalene?
The canonical SMILES for 1-[(4-methoxyphenyl)-phenylmethylidene]cyclopropa[b]naphthalene is COc1ccc(C(=C2c3cc4ccccc4cc32)c2ccccc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)-phenylmethylidene]cyclopropa[b]naphthalene?
The InChIKey is LMICQWHPBBBTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O/c1-26-21-13-11-18(12-14-21)24(17-7-3-2-4-8-17)25-22-15-19-9-5-6-10-20(19)16-23(22)25/h2-16H,1H3.
What are the key properties of 1-[(4-methoxyphenyl)-phenylmethylidene]cyclopropa[b]naphthalene?
1-[(4-methoxyphenyl)-phenylmethylidene]cyclopropa[b]naphthalene has a molecular weight of 334.42 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)-phenylmethylidene]cyclopropa[b]naphthalene is sourced from PubChem (CID 11461778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).