[(E)-3-phenylprop-2-enyl] 2-methylbenzoate

C17H16O2 — CID 15365126

IUPAC[(E)-3-phenylprop-2-enyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C17H16O2/c1-14-8-5-6-12-16(14)17(18)19-13-7-11-15-9-3-2-4-10-15/h2-12H,13H2,1H3/b11-7+
InChIKeyYJIXDCARJBCYTR-YRNVUSSQSA-N
MW252.31 g/mol
LogP3.87
Rot. Bonds4

About [(E)-3-phenylprop-2-enyl] 2-methylbenzoate

[(E)-3-phenylprop-2-enyl] 2-methylbenzoate (PubChem CID 15365126) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] 2-methylbenzoate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] 2-methylbenzoate
PubChem CID15365126
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name[(E)-3-phenylprop-2-enyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C17H16O2/c1-14-8-5-6-12-16(14)17(18)19-13-7-11-15-9-3-2-4-10-15/h2-12H,13H2,1H3/b11-7+
InChIKeyYJIXDCARJBCYTR-YRNVUSSQSA-N
XLogP3.87
TPSA26.30 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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(E)-3-phenylprop-2-enyl] 2-(3,4-dimethylbenzoyl)benzoate
CID 2447236
3-phenylprop-2-enyl 2-(ethylamino)benzoate
CID 174405623
[(E)-3-phenylprop-2-enyl] 2-(trifluoromethyl)benzoate
CID 5374335
3-phenylprop-2-enyl 2-(propanoylamino)benzoate
CID 174317231
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880
[(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate
CID 97380584
carbamic acid;3-methyl-2-(3-phenylprop-2-enoxycarbonylamino)benzoic acid
CID 69031457
bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
propyl 2-methylbenzoate
CID 23432654
2,6-dimethyl-4-(2-phenylethenyl)-5-(3-phenylprop-2-enoxycarbonyl)-3,4-dihydropyridine-3-carboxylic acid
CID 91331303
[(E)-3-phenylprop-2-enyl] 5-amino-2-[(E)-prop-1-enyl]benzoate
CID 173249374

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] 2-methylbenzoate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] 2-methylbenzoate (CID 15365126) is [(E)-3-phenylprop-2-enyl] 2-methylbenzoate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] 2-methylbenzoate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] 2-methylbenzoate is Cc1ccccc1C(=O)OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] 2-methylbenzoate?
The InChIKey is YJIXDCARJBCYTR-YRNVUSSQSA-N. The full InChI is InChI=1S/C17H16O2/c1-14-8-5-6-12-16(14)17(18)19-13-7-11-15-9-3-2-4-10-15/h2-12H,13H2,1H3/b11-7+.
What are the key properties of [(E)-3-phenylprop-2-enyl] 2-methylbenzoate?
[(E)-3-phenylprop-2-enyl] 2-methylbenzoate has a molecular weight of 252.31 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] 2-methylbenzoate is sourced from PubChem (CID 15365126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).