1-(4-phenylphenyl)prop-2-enyl acetate

C17H16O2 — CID 19901247

IUPAC1-(4-phenylphenyl)prop-2-enyl acetate
SMILESC=CC(OC(C)=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16O2/c1-3-17(19-13(2)18)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h3-12,17H,1H2,2H3
InChIKeyLFMLDLHKXPCBMD-UHFFFAOYSA-N
MW252.31 g/mol
LogP4.14
Rot. Bonds4

About 1-(4-phenylphenyl)prop-2-enyl acetate

1-(4-phenylphenyl)prop-2-enyl acetate (PubChem CID 19901247) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(4-phenylphenyl)prop-2-enyl acetate.

Molecular Properties

Compound Name1-(4-phenylphenyl)prop-2-enyl acetate
PubChem CID19901247
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1-(4-phenylphenyl)prop-2-enyl acetate
SMILESC=CC(OC(C)=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16O2/c1-3-17(19-13(2)18)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h3-12,17H,1H2,2H3
InChIKeyLFMLDLHKXPCBMD-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzyl acetate
CID 8785
Benzyl Cinnamate
CID 5273469
Phenethyl Cinnamate
CID 5369459
1-Phenylethyl propionate
CID 8432
1-Phenylethyl Acetate
CID 62341
O-Methylbenzyl acetate
CID 87085
1-Phenylethyl 2-methylpropanoate
CID 569214
alpha-Methylbenzyl butyrate
CID 570574
Benzenemethanol, 4-methyl-, 1-acetate
CID 75187
p-Isopropylbenzyl acetate
CID 100990
1-Phenylpropyl butyrate
CID 61447
2-Propenoic acid, 3-phenyl-, phenylmethyl ester
CID 7652

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)prop-2-enyl acetate?
The IUPAC name of 1-(4-phenylphenyl)prop-2-enyl acetate (CID 19901247) is 1-(4-phenylphenyl)prop-2-enyl acetate.
What is the SMILES notation for 1-(4-phenylphenyl)prop-2-enyl acetate?
The canonical SMILES for 1-(4-phenylphenyl)prop-2-enyl acetate is C=CC(OC(C)=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)prop-2-enyl acetate?
The InChIKey is LFMLDLHKXPCBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-3-17(19-13(2)18)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h3-12,17H,1H2,2H3.
What are the key properties of 1-(4-phenylphenyl)prop-2-enyl acetate?
1-(4-phenylphenyl)prop-2-enyl acetate has a molecular weight of 252.31 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)prop-2-enyl acetate is sourced from PubChem (CID 19901247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).