[4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate

C16H13ClO4 — CID 146593862

IUPAC[4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate
SMILESCOC(=O)Oc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClO4/c1-20-16(19)21-14-8-4-12(5-9-14)15(18)10-11-2-6-13(17)7-3-11/h2-9H,10H2,1H3
InChIKeyPSVPSFDBFQBDCW-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.91
Rot. Bonds4

About [4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate

[4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate (PubChem CID 146593862) has the molecular formula C16H13ClO4 and a molecular weight of 304.73 g/mol. Its IUPAC name is [4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate.

Molecular Properties

Compound Name[4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate
PubChem CID146593862
Molecular FormulaC16H13ClO4
Molecular Weight304.73 g/mol
Exact Mass304.05
IUPAC Name[4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate
SMILESCOC(=O)Oc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClO4/c1-20-16(19)21-14-8-4-12(5-9-14)15(18)10-11-2-6-13(17)7-3-11/h2-9H,10H2,1H3
InChIKeyPSVPSFDBFQBDCW-UHFFFAOYSA-N
XLogP3.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate 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

[4-[2-(4-methoxycarbonyloxyphenyl)propan-2-yl]phenyl] [4-[2-(4-methoxyphenyl)-2-oxoethyl]phenyl] carbonate
CID 58260459
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]acetamide
CID 43337926
methyl 4-[4-[2-(4-chlorophenyl)acetyl]phenoxy]-2,3-dimethylbutanoate
CID 146594284
2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid
CID 167266699
4-[4-[2-(4-chlorophenyl)acetyl]phenoxy]-3-methylpentanoic acid
CID 146594323
1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 62622412
3-[4-[2-(4-chlorophenyl)acetyl]phenoxy]propanoic acid
CID 146594189
1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 53407120
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11438271
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 43339023
(4-acetamidophenyl) 2-(4-chlorophenyl)acetate
CID 4938737
4-[4-[2-(4-chlorophenyl)acetyl]phenoxy]-2,2-dimethylbutanoic acid
CID 146593972

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate?
The IUPAC name of [4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate (CID 146593862) is [4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate.
What is the SMILES notation for [4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate?
The canonical SMILES for [4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate is COC(=O)Oc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of [4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate?
The InChIKey is PSVPSFDBFQBDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO4/c1-20-16(19)21-14-8-4-12(5-9-14)15(18)10-11-2-6-13(17)7-3-11/h2-9H,10H2,1H3.
What are the key properties of [4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate?
[4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate has a molecular weight of 304.73 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate is sourced from PubChem (CID 146593862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).