2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid

C15H10Cl2O4 — CID 4126924

IUPAC2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl2O4/c16-12-6-3-7-13(17)11(12)8-21-15(20)10-5-2-1-4-9(10)14(18)19/h1-7H,8H2,(H,18,19)
InChIKeyNWELFBBPILOGIQ-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.05
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid

2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid (PubChem CID 4126924) has the molecular formula C15H10Cl2O4 and a molecular weight of 325.15 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid
PubChem CID4126924
Molecular FormulaC15H10Cl2O4
Molecular Weight325.15 g/mol
Exact Mass324.00
IUPAC Name2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl2O4/c16-12-6-3-7-13(17)11(12)8-21-15(20)10-5-2-1-4-9(10)14(18)19/h1-7H,8H2,(H,18,19)
InChIKeyNWELFBBPILOGIQ-UHFFFAOYSA-N
XLogP4.05
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 925965
(2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate
CID 1294400
2-O-[(2-chloro-6-fluorophenyl)methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504991
3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 115955910
(2-chloro-6-fluorophenyl)methyl naphthalene-1-carboxylate
CID 954125
(2-amino-6-chlorophenyl)methyl benzoate
CID 134095061
(2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate
CID 2432200
(2,6-dichlorophenyl)methyl 2,3,4,5,6-pentafluorobenzoate
CID 91743056
(2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate
CID 63450771
(2,6-dichlorophenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 102706266
(2,6-dichlorophenyl)methyl 4-iodobenzoate
CID 2409698
(4-phenylphenyl)methyl 2-chlorobenzoate
CID 7866502

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid?
The IUPAC name of 2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid (CID 4126924) is 2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid is O=C(O)c1ccccc1C(=O)OCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid?
The InChIKey is NWELFBBPILOGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O4/c16-12-6-3-7-13(17)11(12)8-21-15(20)10-5-2-1-4-9(10)14(18)19/h1-7H,8H2,(H,18,19).
What are the key properties of 2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid?
2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid has a molecular weight of 325.15 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid is sourced from PubChem (CID 4126924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).