5-chloro-2-methoxybenzoate

C8H6ClO3- — CID 6933314

IUPAC5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)[O-]
InChIInChI=1S/C8H7ClO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)/p-1
InChIKeyHULDRQRKKXRXBI-UHFFFAOYSA-M
MW185.59 g/mol
LogP0.71
Rot. Bonds2

About 5-chloro-2-methoxybenzoate

5-chloro-2-methoxybenzoate (PubChem CID 6933314) has the molecular formula C8H6ClO3- and a molecular weight of 185.59 g/mol. Its IUPAC name is 5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name5-chloro-2-methoxybenzoate
PubChem CID6933314
Molecular FormulaC8H6ClO3-
Molecular Weight185.59 g/mol
Exact Mass185.00
IUPAC Name5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)[O-]
InChIInChI=1S/C8H7ClO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)/p-1
InChIKeyHULDRQRKKXRXBI-UHFFFAOYSA-M
XLogP0.71
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.59
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 62789919
3-bromo-1-(5-chloro-2-methoxyphenyl)propane-1,2-dione
CID 82134939
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-one
CID 104544879
2-bromo-2-chloro-1-(5-chloro-2-methoxyphenyl)ethanone
CID 116863835
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
5-chloro-2-methoxy-N-(propan-2-ylideneamino)benzamide
CID 3614530
4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene
CID 3015769
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 82078374

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxybenzoate?
The IUPAC name of 5-chloro-2-methoxybenzoate (CID 6933314) is 5-chloro-2-methoxybenzoate.
What is the SMILES notation for 5-chloro-2-methoxybenzoate?
The canonical SMILES for 5-chloro-2-methoxybenzoate is COc1ccc(Cl)cc1C(=O)[O-].
What is the InChIKey of 5-chloro-2-methoxybenzoate?
The InChIKey is HULDRQRKKXRXBI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7ClO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)/p-1.
What are the key properties of 5-chloro-2-methoxybenzoate?
5-chloro-2-methoxybenzoate has a molecular weight of 185.59 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxybenzoate is sourced from PubChem (CID 6933314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).