1-(4-phenylphenyl)ethyl acetate

C16H16O2 — CID 14297735

IUPAC1-(4-phenylphenyl)ethyl acetate
SMILESCC(=O)OC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-12(18-13(2)17)14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyKIDNVADGRAIFHQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.98
Rot. Bonds3

About 1-(4-phenylphenyl)ethyl acetate

1-(4-phenylphenyl)ethyl acetate (PubChem CID 14297735) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(4-phenylphenyl)ethyl acetate.

Molecular Properties

Compound Name1-(4-phenylphenyl)ethyl acetate
PubChem CID14297735
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-(4-phenylphenyl)ethyl acetate
SMILESCC(=O)OC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-12(18-13(2)17)14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyKIDNVADGRAIFHQ-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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)ethyl acetate?
The IUPAC name of 1-(4-phenylphenyl)ethyl acetate (CID 14297735) is 1-(4-phenylphenyl)ethyl acetate.
What is the SMILES notation for 1-(4-phenylphenyl)ethyl acetate?
The canonical SMILES for 1-(4-phenylphenyl)ethyl acetate is CC(=O)OC(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)ethyl acetate?
The InChIKey is KIDNVADGRAIFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-12(18-13(2)17)14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of 1-(4-phenylphenyl)ethyl acetate?
1-(4-phenylphenyl)ethyl acetate has a molecular weight of 240.30 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)ethyl acetate is sourced from PubChem (CID 14297735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).