3,5-dichloro-2,6-dihydroxy-4-methylbenzoic acid

C8H6Cl2O4 — CID 3056891

IUPAC3,5-dichloro-2,6-dihydroxy-4-methylbenzoic acid
SMILESCc1c(Cl)c(O)c(C(=O)O)c(O)c1Cl
InChIInChI=1S/C8H6Cl2O4/c1-2-4(9)6(11)3(8(13)14)7(12)5(2)10/h11-12H,1H3,(H,13,14)
InChIKeyFFCAQFQHJFUVPZ-UHFFFAOYSA-N
MW237.04 g/mol
LogP2.41
Rot. Bonds1

About 3,5-dichloro-2,6-dihydroxy-4-methylbenzoic acid

3,5-dichloro-2,6-dihydroxy-4-methylbenzoic acid (PubChem CID 3056891) has the molecular formula C8H6Cl2O4 and a molecular weight of 237.04 g/mol. Its IUPAC name is 3,5-dichloro-2,6-dihydroxy-4-methylbenzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2,6-dihydroxy-4-methylbenzoic acid
PubChem CID3056891
Molecular FormulaC8H6Cl2O4
Molecular Weight237.04 g/mol
Exact Mass235.96
IUPAC Name3,5-dichloro-2,6-dihydroxy-4-methylbenzoic acid
SMILESCc1c(Cl)c(O)c(C(=O)O)c(O)c1Cl
InChIInChI=1S/C8H6Cl2O4/c1-2-4(9)6(11)3(8(13)14)7(12)5(2)10/h11-12H,1H3,(H,13,14)
InChIKeyFFCAQFQHJFUVPZ-UHFFFAOYSA-N
XLogP2.41
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-2,4,6-trimethylbenzoic acid
CID 82645725
2,5-dichloro-3,4,6-trimethylbenzoic acid
CID 20648398
4-bromo-2-chloro-5,6-dihydroxy-3-methylbenzoic acid
CID 141171161
4,6-dihydroxy-2,5-dimethylbenzene-1,3-dicarboxylic acid
CID 90345911
3,5-dichloro-2,6-dimethoxy-4-methylbenzoic acid
CID 13202156
methyl 2,5-dichloro-3,6-dihydroxy-4-methylbenzoate
CID 140966674
3,4,5,6,7,8-hexachloro-2-methylnaphthalene-1-carboxylic acid
CID 57039695
3-hydroxy-2,4,6-trimethylbenzoic acid
CID 84657275
2-hydroxy-3,5,6-trimethylbenzoic acid
CID 23352517
3,5-dichloro-2,4-dihydroxy-6-pentylbenzoic acid
CID 606098
2-chloro-4,5,6-trifluoro-3-methylbenzoic acid
CID 90460489
3-formyl-2,4,6-trihydroxy-5-methylbenzoic acid
CID 175200191

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2,6-dihydroxy-4-methylbenzoic acid?
The IUPAC name of 3,5-dichloro-2,6-dihydroxy-4-methylbenzoic acid (CID 3056891) is 3,5-dichloro-2,6-dihydroxy-4-methylbenzoic acid.
What is the SMILES notation for 3,5-dichloro-2,6-dihydroxy-4-methylbenzoic acid?
The canonical SMILES for 3,5-dichloro-2,6-dihydroxy-4-methylbenzoic acid is Cc1c(Cl)c(O)c(C(=O)O)c(O)c1Cl.
What is the InChIKey of 3,5-dichloro-2,6-dihydroxy-4-methylbenzoic acid?
The InChIKey is FFCAQFQHJFUVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O4/c1-2-4(9)6(11)3(8(13)14)7(12)5(2)10/h11-12H,1H3,(H,13,14).
What are the key properties of 3,5-dichloro-2,6-dihydroxy-4-methylbenzoic acid?
3,5-dichloro-2,6-dihydroxy-4-methylbenzoic acid has a molecular weight of 237.04 g/mol, XLogP of 2.41, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2,6-dihydroxy-4-methylbenzoic acid is sourced from PubChem (CID 3056891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).