bis[(3-chlorophenyl)methyl] carbonate

C15H12Cl2O3 — CID 44719399

IUPACbis[(3-chlorophenyl)methyl] carbonate
SMILESO=C(OCc1cccc(Cl)c1)OCc1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2O3/c16-13-5-1-3-11(7-13)9-19-15(18)20-10-12-4-2-6-14(17)8-12/h1-8H,9-10H2
InChIKeyUTTMEVDJCNAVNI-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.85
Rot. Bonds4

About bis[(3-chlorophenyl)methyl] carbonate

bis[(3-chlorophenyl)methyl] carbonate (PubChem CID 44719399) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is bis[(3-chlorophenyl)methyl] carbonate.

Molecular Properties

Compound Namebis[(3-chlorophenyl)methyl] carbonate
PubChem CID44719399
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Namebis[(3-chlorophenyl)methyl] carbonate
SMILESO=C(OCc1cccc(Cl)c1)OCc1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2O3/c16-13-5-1-3-11(7-13)9-19-15(18)20-10-12-4-2-6-14(17)8-12/h1-8H,9-10H2
InChIKeyUTTMEVDJCNAVNI-UHFFFAOYSA-N
XLogP4.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze bis[(3-chlorophenyl)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

(3-chlorophenyl)methyl 2-methoxyacetate
CID 142607419
argon;(3-chlorophenyl)methyl benzoate
CID 174492322
(3-chlorophenyl)methyl 2-amino-2-methylpropanoate
CID 65126970
(3-chlorophenyl)methyl (4-nitrophenyl) carbonate
CID 22075943
(3-chlorophenyl)methyl 2-carbonochloridoyl-2-ethylbutanoate
CID 91712545
(3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate
CID 65127127
(3-chlorophenyl)methyl 3-(aminomethyl)benzoate
CID 65127479
(3-chlorophenyl)methyl 3,5-diacetamidobenzoate
CID 30097917
(3-chlorophenyl)methyl 2-(3-chloroanilino)acetate
CID 65127418
(3-chlorophenyl)methyl N-(4-aminophenyl)carbamate
CID 65126577
(3-chlorophenyl)methyl 1-aminocycloheptane-1-carboxylate
CID 65127010
(3-chlorophenyl)methyl 2-amino-4-methoxybutanoate
CID 65126822

Frequently Asked Questions

What is the IUPAC name of bis[(3-chlorophenyl)methyl] carbonate?
The IUPAC name of bis[(3-chlorophenyl)methyl] carbonate (CID 44719399) is bis[(3-chlorophenyl)methyl] carbonate.
What is the SMILES notation for bis[(3-chlorophenyl)methyl] carbonate?
The canonical SMILES for bis[(3-chlorophenyl)methyl] carbonate is O=C(OCc1cccc(Cl)c1)OCc1cccc(Cl)c1.
What is the InChIKey of bis[(3-chlorophenyl)methyl] carbonate?
The InChIKey is UTTMEVDJCNAVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c16-13-5-1-3-11(7-13)9-19-15(18)20-10-12-4-2-6-14(17)8-12/h1-8H,9-10H2.
What are the key properties of bis[(3-chlorophenyl)methyl] carbonate?
bis[(3-chlorophenyl)methyl] carbonate has a molecular weight of 311.16 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(3-chlorophenyl)methyl] carbonate is sourced from PubChem (CID 44719399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).