3-(4-phenylphenyl)prop-2-enyl cyclopropanecarboxylate

C19H18O2 — CID 54275232

IUPAC3-(4-phenylphenyl)prop-2-enyl cyclopropanecarboxylate
SMILESO=C(OCC=Cc1ccc(-c2ccccc2)cc1)C1CC1
InChIInChI=1S/C19H18O2/c20-19(18-12-13-18)21-14-4-5-15-8-10-17(11-9-15)16-6-2-1-3-7-16/h1-11,18H,12-14H2
InChIKeyRMXZKPLRMNARAF-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.32
Rot. Bonds5

About 3-(4-phenylphenyl)prop-2-enyl cyclopropanecarboxylate

3-(4-phenylphenyl)prop-2-enyl cyclopropanecarboxylate (PubChem CID 54275232) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(4-phenylphenyl)prop-2-enyl cyclopropanecarboxylate.

Molecular Properties

Compound Name3-(4-phenylphenyl)prop-2-enyl cyclopropanecarboxylate
PubChem CID54275232
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name3-(4-phenylphenyl)prop-2-enyl cyclopropanecarboxylate
SMILESO=C(OCC=Cc1ccc(-c2ccccc2)cc1)C1CC1
InChIInChI=1S/C19H18O2/c20-19(18-12-13-18)21-14-4-5-15-8-10-17(11-9-15)16-6-2-1-3-7-16/h1-11,18H,12-14H2
InChIKeyRMXZKPLRMNARAF-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-phenylphenyl)prop-2-enyl cyclopropanecarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cinnamyl isovalerate
CID 5355855
Cinnamyl-beta-phenylpropionate
CID 5368395
Ethyl 2-methyl-4,4-diphenylbuta-2,3-dienoate
CID 13814218
(E)-2-Methyl-6-(p-tolyl)hept-2-en-1-yl acetate
CID 91710637
3-Methylbutanoic acid 3-phenyl-2-propenyl ester
CID 61091
3-Phenyl-2-propenyl 3-methylbutanoate
CID 24884265
oxiran-2-ylmethyl (E)-3-(4-phenylphenyl)prop-2-enoate
CID 56950319
[(E)-3-phenylprop-2-enyl] 2-[4-(2-methylpropyl)phenyl]propanoate
CID 122196511
3-Phenylallyl 2-methylbutyrate
CID 6437280
2-Propenoic acid, 3-(4-phenylphenyl)-, ethyl ester
CID 5377298
Ethyl 3,3-diphenylacrylate
CID 9881471
(E)-Methyl 3-([1,1'-biphenyl]-4-yl)acrylate
CID 11459051

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)prop-2-enyl cyclopropanecarboxylate?
The IUPAC name of 3-(4-phenylphenyl)prop-2-enyl cyclopropanecarboxylate (CID 54275232) is 3-(4-phenylphenyl)prop-2-enyl cyclopropanecarboxylate.
What is the SMILES notation for 3-(4-phenylphenyl)prop-2-enyl cyclopropanecarboxylate?
The canonical SMILES for 3-(4-phenylphenyl)prop-2-enyl cyclopropanecarboxylate is O=C(OCC=Cc1ccc(-c2ccccc2)cc1)C1CC1.
What is the InChIKey of 3-(4-phenylphenyl)prop-2-enyl cyclopropanecarboxylate?
The InChIKey is RMXZKPLRMNARAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c20-19(18-12-13-18)21-14-4-5-15-8-10-17(11-9-15)16-6-2-1-3-7-16/h1-11,18H,12-14H2.
What are the key properties of 3-(4-phenylphenyl)prop-2-enyl cyclopropanecarboxylate?
3-(4-phenylphenyl)prop-2-enyl cyclopropanecarboxylate has a molecular weight of 278.35 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)prop-2-enyl cyclopropanecarboxylate is sourced from PubChem (CID 54275232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).