3-phenylpropyl (E)-3-(4-methylphenyl)prop-2-enoate

C19H20O2 — CID 6234129

IUPAC3-phenylpropyl (E)-3-(4-methylphenyl)prop-2-enoate
SMILESCc1ccc(/C=C/C(=O)OCCCc2ccccc2)cc1
InChIInChI=1S/C19H20O2/c1-16-9-11-18(12-10-16)13-14-19(20)21-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-14H,5,8,15H2,1H3/b14-13+
InChIKeyORXCDMXDMUMRCG-BUHFOSPRSA-N
MW280.37 g/mol
LogP4.18
Rot. Bonds6

About 3-phenylpropyl (E)-3-(4-methylphenyl)prop-2-enoate

3-phenylpropyl (E)-3-(4-methylphenyl)prop-2-enoate (PubChem CID 6234129) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-phenylpropyl (E)-3-(4-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Name3-phenylpropyl (E)-3-(4-methylphenyl)prop-2-enoate
PubChem CID6234129
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name3-phenylpropyl (E)-3-(4-methylphenyl)prop-2-enoate
SMILESCc1ccc(/C=C/C(=O)OCCCc2ccccc2)cc1
InChIInChI=1S/C19H20O2/c1-16-9-11-18(12-10-16)13-14-19(20)21-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-14H,5,8,15H2,1H3/b14-13+
InChIKeyORXCDMXDMUMRCG-BUHFOSPRSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-phenylpropyl (E)-3-(4-methylphenyl)prop-2-enoate 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

tris(4-methylbenzenethiol);bis(4-phenylbutyl (E)-3-(4-methoxyphenyl)prop-2-enoate);bis(ruthenium(3+))
CID 56653664
2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate
CID 4980924
(E)-4-oxo-4-(3-phenylpropoxy)but-2-enoic acid
CID 54583605
1-O-octyl 4-O-(3-phenylpropyl) (E)-but-2-enedioate
CID 91710158
[2-butanoyloxy-4-[(E)-3-oxo-3-(3-phenylpropoxy)prop-1-enyl]phenyl] butanoate
CID 56847146
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
propyl (E)-3-(4-benzylphenyl)prop-2-enoate
CID 158296858
(E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide
CID 6293212
ethyl (E)-3-(4-benzylphenyl)prop-2-enoate
CID 67528407
3-[(E)-3-phenylprop-2-enoyl]oxypropylazanium
CID 58816851
trimethyl-[2-[(E)-3-(4-methylphenyl)prop-2-enoyl]oxyethyl]azanium chloride
CID 23459285
(4-methylphenyl)methyl 3-phenylpropyl carbonate
CID 22889315

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropyl (E)-3-(4-methylphenyl)prop-2-enoate?
The IUPAC name of 3-phenylpropyl (E)-3-(4-methylphenyl)prop-2-enoate (CID 6234129) is 3-phenylpropyl (E)-3-(4-methylphenyl)prop-2-enoate.
What is the SMILES notation for 3-phenylpropyl (E)-3-(4-methylphenyl)prop-2-enoate?
The canonical SMILES for 3-phenylpropyl (E)-3-(4-methylphenyl)prop-2-enoate is Cc1ccc(/C=C/C(=O)OCCCc2ccccc2)cc1.
What is the InChIKey of 3-phenylpropyl (E)-3-(4-methylphenyl)prop-2-enoate?
The InChIKey is ORXCDMXDMUMRCG-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H20O2/c1-16-9-11-18(12-10-16)13-14-19(20)21-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-14H,5,8,15H2,1H3/b14-13+.
What are the key properties of 3-phenylpropyl (E)-3-(4-methylphenyl)prop-2-enoate?
3-phenylpropyl (E)-3-(4-methylphenyl)prop-2-enoate has a molecular weight of 280.37 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl (E)-3-(4-methylphenyl)prop-2-enoate is sourced from PubChem (CID 6234129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).