3-chloro-4-[(3-chlorophenyl)methoxy]benzoate

C14H9Cl2O3- — CID 8707027

IUPAC3-chloro-4-[(3-chlorophenyl)methoxy]benzoate
SMILESO=C([O-])c1ccc(OCc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H10Cl2O3/c15-11-3-1-2-9(6-11)8-19-13-5-4-10(14(17)18)7-12(13)16/h1-7H,8H2,(H,17,18)/p-1
InChIKeyYZOMEFGASCKZMH-UHFFFAOYSA-M
MW296.13 g/mol
LogP2.94
Rot. Bonds4

About 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate

3-chloro-4-[(3-chlorophenyl)methoxy]benzoate (PubChem CID 8707027) has the molecular formula C14H9Cl2O3- and a molecular weight of 296.13 g/mol. Its IUPAC name is 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name3-chloro-4-[(3-chlorophenyl)methoxy]benzoate
PubChem CID8707027
Molecular FormulaC14H9Cl2O3-
Molecular Weight296.13 g/mol
Exact Mass294.99
IUPAC Name3-chloro-4-[(3-chlorophenyl)methoxy]benzoate
SMILESO=C([O-])c1ccc(OCc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H10Cl2O3/c15-11-3-1-2-9(6-11)8-19-13-5-4-10(14(17)18)7-12(13)16/h1-7H,8H2,(H,17,18)/p-1
InChIKeyYZOMEFGASCKZMH-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

5-chloro-2-[(3-chlorophenyl)methoxy]benzoate
CID 7023057
3-chloro-4-[(3-chlorophenyl)methoxy]-N-(4-hydroxybutyl)benzamide
CID 25195088
[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 44570985
3-chloro-4-ethoxybenzoate
CID 6927202
3-[(2,4,6-trichlorophenoxy)methyl]benzoate
CID 7015973
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
2-[3-[(2,4-dichlorophenoxy)methyl]phenyl]acetic acid
CID 155146115
4-[(3-bromophenyl)methoxy]-3-chlorobenzamide
CID 91683338
1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone
CID 82064162
[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]boronic acid;molecular hydrogen
CID 159390577
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499398
3-chloro-4-[(3-cyanophenyl)methoxy]benzoic acid
CID 60711872

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate?
The IUPAC name of 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate (CID 8707027) is 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate.
What is the SMILES notation for 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate?
The canonical SMILES for 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate is O=C([O-])c1ccc(OCc2cccc(Cl)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate?
The InChIKey is YZOMEFGASCKZMH-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10Cl2O3/c15-11-3-1-2-9(6-11)8-19-13-5-4-10(14(17)18)7-12(13)16/h1-7H,8H2,(H,17,18)/p-1.
What are the key properties of 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate?
3-chloro-4-[(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 3-chloro-4-[(3-chlorophenyl)methoxy]benzoate is sourced from PubChem (CID 8707027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).