6-chloro-3-hydroxy-2-methoxybenzoic acid

C8H7ClO4 — CID 117291132

IUPAC6-chloro-3-hydroxy-2-methoxybenzoic acid
SMILESCOc1c(O)ccc(Cl)c1C(=O)O
InChIInChI=1S/C8H7ClO4/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3,10H,1H3,(H,11,12)
InChIKeyBVWGRMRYTSYJGB-UHFFFAOYSA-N
MW202.59 g/mol
LogP1.75
Rot. Bonds2

About 6-chloro-3-hydroxy-2-methoxybenzoic acid

6-chloro-3-hydroxy-2-methoxybenzoic acid (PubChem CID 117291132) has the molecular formula C8H7ClO4 and a molecular weight of 202.59 g/mol. Its IUPAC name is 6-chloro-3-hydroxy-2-methoxybenzoic acid.

Molecular Properties

Compound Name6-chloro-3-hydroxy-2-methoxybenzoic acid
PubChem CID117291132
Molecular FormulaC8H7ClO4
Molecular Weight202.59 g/mol
Exact Mass202.00
IUPAC Name6-chloro-3-hydroxy-2-methoxybenzoic acid
SMILESCOc1c(O)ccc(Cl)c1C(=O)O
InChIInChI=1S/C8H7ClO4/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3,10H,1H3,(H,11,12)
InChIKeyBVWGRMRYTSYJGB-UHFFFAOYSA-N
XLogP1.75
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.59
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
3,6-dihydroxy-2-methoxybenzoic acid
CID 15647609
3-amino-1-(6-chloro-3-hydroxy-2-methoxyphenyl)propan-1-one
CID 117331388
4-chloro-2-methoxy-3-methylphenol
CID 124706065
4-chloro-3-methoxybenzene-1,2-diol
CID 21449636
2-amino-6-chloro-3-hydroxybenzoic acid
CID 71381631
3,6-dichloro-2-methoxybenzoic acid;N,N-dihexylhexan-1-amine
CID 137405087
2,4-dihydroxy-3-methoxybenzoic acid
CID 3021603
3,6-dichloro-2-hydroxybenzoic acid
CID 162211371
3-amino-2,5-dichlorobenzoic acid;3,6-dichloro-2-methoxybenzoic acid
CID 23168481
2-(2-aminoethylamino)ethanol;3,6-dichloro-2-methoxybenzoic acid
CID 51030995
3,6-dichloro-2-(2-hydroxybenzoyl)oxybenzoic acid
CID 91431228

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-hydroxy-2-methoxybenzoic acid?
The IUPAC name of 6-chloro-3-hydroxy-2-methoxybenzoic acid (CID 117291132) is 6-chloro-3-hydroxy-2-methoxybenzoic acid.
What is the SMILES notation for 6-chloro-3-hydroxy-2-methoxybenzoic acid?
The canonical SMILES for 6-chloro-3-hydroxy-2-methoxybenzoic acid is COc1c(O)ccc(Cl)c1C(=O)O.
What is the InChIKey of 6-chloro-3-hydroxy-2-methoxybenzoic acid?
The InChIKey is BVWGRMRYTSYJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO4/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3,10H,1H3,(H,11,12).
What are the key properties of 6-chloro-3-hydroxy-2-methoxybenzoic acid?
6-chloro-3-hydroxy-2-methoxybenzoic acid has a molecular weight of 202.59 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-hydroxy-2-methoxybenzoic acid is sourced from PubChem (CID 117291132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).