5-chloro-2-[(3-chlorophenyl)methoxy]benzoate

C14H9Cl2O3- — CID 7023057

IUPAC5-chloro-2-[(3-chlorophenyl)methoxy]benzoate
SMILESO=C([O-])c1cc(Cl)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C14H10Cl2O3/c15-10-3-1-2-9(6-10)8-19-13-5-4-11(16)7-12(13)14(17)18/h1-7H,8H2,(H,17,18)/p-1
InChIKeyMWKGNWWGIMBMEK-UHFFFAOYSA-M
MW296.13 g/mol
LogP2.94
Rot. Bonds4

About 5-chloro-2-[(3-chlorophenyl)methoxy]benzoate

5-chloro-2-[(3-chlorophenyl)methoxy]benzoate (PubChem CID 7023057) has the molecular formula C14H9Cl2O3- and a molecular weight of 296.13 g/mol. Its IUPAC name is 5-chloro-2-[(3-chlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name5-chloro-2-[(3-chlorophenyl)methoxy]benzoate
PubChem CID7023057
Molecular FormulaC14H9Cl2O3-
Molecular Weight296.13 g/mol
Exact Mass294.99
IUPAC Name5-chloro-2-[(3-chlorophenyl)methoxy]benzoate
SMILESO=C([O-])c1cc(Cl)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C14H10Cl2O3/c15-10-3-1-2-9(6-10)8-19-13-5-4-11(16)7-12(13)14(17)18/h1-7H,8H2,(H,17,18)/p-1
InChIKeyMWKGNWWGIMBMEK-UHFFFAOYSA-M
XLogP2.94
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[(3-chlorophenyl)methoxy]benzoate
CID 8707027
3-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 22686650
2-[(3-chlorophenyl)methoxy]-N-(4-chlorophenyl)sulfonylbenzamide
CID 110161772
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
2-[(3-chlorophenyl)methoxy]-5-(3-methylphenyl)benzoic acid
CID 175660787
2,5-bis[(3-chlorophenyl)methoxy]phenol
CID 139941886
5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoyl chloride
CID 46779756
(1R)-1-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethanol
CID 63364382
1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone
CID 60701262
2-[3-[(2,4-dichlorophenoxy)methyl]phenyl]acetic acid
CID 155146115
(Z)-3-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid
CID 22682126
5-chloro-N,N-diethyl-2-phenylmethoxybenzamide
CID 8799985

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3-chlorophenyl)methoxy]benzoate?
The IUPAC name of 5-chloro-2-[(3-chlorophenyl)methoxy]benzoate (CID 7023057) is 5-chloro-2-[(3-chlorophenyl)methoxy]benzoate.
What is the SMILES notation for 5-chloro-2-[(3-chlorophenyl)methoxy]benzoate?
The canonical SMILES for 5-chloro-2-[(3-chlorophenyl)methoxy]benzoate is O=C([O-])c1cc(Cl)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of 5-chloro-2-[(3-chlorophenyl)methoxy]benzoate?
The InChIKey is MWKGNWWGIMBMEK-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10Cl2O3/c15-10-3-1-2-9(6-10)8-19-13-5-4-11(16)7-12(13)14(17)18/h1-7H,8H2,(H,17,18)/p-1.
What are the key properties of 5-chloro-2-[(3-chlorophenyl)methoxy]benzoate?
5-chloro-2-[(3-chlorophenyl)methoxy]benzoate has a molecular weight of 296.13 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3-chlorophenyl)methoxy]benzoate is sourced from PubChem (CID 7023057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).