(3-chlorophenyl)methyl 3-methoxybenzoate

C15H13ClO3 — CID 91715053

IUPAC(3-chlorophenyl)methyl 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCc2cccc(Cl)c2)c1
InChIInChI=1S/C15H13ClO3/c1-18-14-7-3-5-12(9-14)15(17)19-10-11-4-2-6-13(16)8-11/h2-9H,10H2,1H3
InChIKeyRVLUXYLLDILLRC-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.71
Rot. Bonds4

About (3-chlorophenyl)methyl 3-methoxybenzoate

(3-chlorophenyl)methyl 3-methoxybenzoate (PubChem CID 91715053) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 3-methoxybenzoate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 3-methoxybenzoate
PubChem CID91715053
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name(3-chlorophenyl)methyl 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCc2cccc(Cl)c2)c1
InChIInChI=1S/C15H13ClO3/c1-18-14-7-3-5-12(9-14)15(17)19-10-11-4-2-6-13(16)8-11/h2-9H,10H2,1H3
InChIKeyRVLUXYLLDILLRC-UHFFFAOYSA-N
XLogP3.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorophenyl)methyl 3-(aminomethyl)benzoate
CID 65127479
(3-chlorophenyl)methyl 3-[(4-methoxybenzoyl)amino]benzoate
CID 1305098
argon;(3-chlorophenyl)methyl benzoate
CID 174492322
(3-chlorophenyl)methyl pyridine-3-carboxylate
CID 3463930
(3-chlorophenyl)methyl 4-fluoro-3-methylbenzoate
CID 65124799
(3,4,5-trimethoxyphenyl)methyl 3-chlorobenzoate
CID 18150581
(3-chlorophenyl)methyl 4-amino-3-methylbenzoate
CID 61320679
(3-methoxyphenyl)methyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 16569929
(3-methoxyphenyl)methyl 3-amino-4-methylbenzoate
CID 60730922
(3-chlorophenyl)methyl quinoxaline-6-carboxylate
CID 7677097
(3-methoxyphenyl)methyl 2,3-dihydro-1H-isoindole-5-carboxylate
CID 103999589
(3-chlorophenyl)methyl 2-[(3-chlorophenyl)methoxy]-4,6-dimethoxybenzoate
CID 162354080

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 3-methoxybenzoate?
The IUPAC name of (3-chlorophenyl)methyl 3-methoxybenzoate (CID 91715053) is (3-chlorophenyl)methyl 3-methoxybenzoate.
What is the SMILES notation for (3-chlorophenyl)methyl 3-methoxybenzoate?
The canonical SMILES for (3-chlorophenyl)methyl 3-methoxybenzoate is COc1cccc(C(=O)OCc2cccc(Cl)c2)c1.
What is the InChIKey of (3-chlorophenyl)methyl 3-methoxybenzoate?
The InChIKey is RVLUXYLLDILLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-18-14-7-3-5-12(9-14)15(17)19-10-11-4-2-6-13(16)8-11/h2-9H,10H2,1H3.
What are the key properties of (3-chlorophenyl)methyl 3-methoxybenzoate?
(3-chlorophenyl)methyl 3-methoxybenzoate has a molecular weight of 276.72 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 3-methoxybenzoate is sourced from PubChem (CID 91715053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).