2-[3-(4-acetylphenyl)phenyl]acetate

C16H13O3- — CID 22930376

IUPAC2-[3-(4-acetylphenyl)phenyl]acetate
SMILESCC(=O)c1ccc(-c2cccc(CC(=O)[O-])c2)cc1
InChIInChI=1S/C16H14O3/c1-11(17)13-5-7-14(8-6-13)15-4-2-3-12(9-15)10-16(18)19/h2-9H,10H2,1H3,(H,18,19)/p-1
InChIKeyQKGILNDJDYRVRD-UHFFFAOYSA-M
MW253.28 g/mol
LogP1.85
Rot. Bonds4

About 2-[3-(4-acetylphenyl)phenyl]acetate

2-[3-(4-acetylphenyl)phenyl]acetate (PubChem CID 22930376) has the molecular formula C16H13O3- and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-[3-(4-acetylphenyl)phenyl]acetate.

Molecular Properties

Compound Name2-[3-(4-acetylphenyl)phenyl]acetate
PubChem CID22930376
Molecular FormulaC16H13O3-
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name2-[3-(4-acetylphenyl)phenyl]acetate
SMILESCC(=O)c1ccc(-c2cccc(CC(=O)[O-])c2)cc1
InChIInChI=1S/C16H14O3/c1-11(17)13-5-7-14(8-6-13)15-4-2-3-12(9-15)10-16(18)19/h2-9H,10H2,1H3,(H,18,19)/p-1
InChIKeyQKGILNDJDYRVRD-UHFFFAOYSA-M
XLogP1.85
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(4-acetylphenyl)phenyl]acetate 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

2-[3-(carboxylatomethyl)phenyl]acetate
CID 6931669
2-[3-(3-chlorophenyl)phenyl]acetate
CID 7022503
3-(4-acetylphenyl)-N-hydroxybenzeneamine oxide
CID 163179435
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
1-[4-(4-benzylphenyl)phenyl]ethanone
CID 67858865
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629
4-(3-ethylphenyl)benzamide
CID 54454087
(Z)-3-[3-(4-acetylphenyl)phenyl]prop-2-enamide
CID 170877551
azanium 2-(3-methylphenyl)acetate
CID 141323779
1-(3-acetylphenyl)propan-2-one
CID 12950417
1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone
CID 118529858

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-acetylphenyl)phenyl]acetate?
The IUPAC name of 2-[3-(4-acetylphenyl)phenyl]acetate (CID 22930376) is 2-[3-(4-acetylphenyl)phenyl]acetate.
What is the SMILES notation for 2-[3-(4-acetylphenyl)phenyl]acetate?
The canonical SMILES for 2-[3-(4-acetylphenyl)phenyl]acetate is CC(=O)c1ccc(-c2cccc(CC(=O)[O-])c2)cc1.
What is the InChIKey of 2-[3-(4-acetylphenyl)phenyl]acetate?
The InChIKey is QKGILNDJDYRVRD-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14O3/c1-11(17)13-5-7-14(8-6-13)15-4-2-3-12(9-15)10-16(18)19/h2-9H,10H2,1H3,(H,18,19)/p-1.
What are the key properties of 2-[3-(4-acetylphenyl)phenyl]acetate?
2-[3-(4-acetylphenyl)phenyl]acetate has a molecular weight of 253.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-acetylphenyl)phenyl]acetate is sourced from PubChem (CID 22930376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).