3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid

C16H16O6 — CID 160831829

IUPAC3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1O.Cc1ccc(C(=O)O)cc1O
InChIInChI=1S/2C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9;1-5-2-3-6(8(10)11)4-7(5)9/h2*2-4,9H,1H3,(H,10,11)
InChIKeySGWYUOYBPZDXMV-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.80
Rot. Bonds2

About 3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid

3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid (PubChem CID 160831829) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid.

Molecular Properties

Compound Name3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid
PubChem CID160831829
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1O.Cc1ccc(C(=O)O)cc1O
InChIInChI=1S/2C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9;1-5-2-3-6(8(10)11)4-7(5)9/h2*2-4,9H,1H3,(H,10,11)
InChIKeySGWYUOYBPZDXMV-UHFFFAOYSA-N
XLogP2.80
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-4-hydroxybenzoic acid;4-hydroxy-3-methylbenzoic acid
CID 70424443
3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
CID 107674655
4-(4-hydroxy-3-methylphenyl)benzoic acid
CID 15389812
2-(3-hydroxy-4-methylphenyl)-2-oxoacetic acid
CID 117278225
benzene;3,4-dihydroxybenzoic acid
CID 175073097
bis(3,4-dihydroxybenzoic acid);zirconium
CID 23558402
4-amino-3-hydroxybenzoic acid;4-amino-3-methylbenzoic acid
CID 70365810
1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one
CID 107676237
3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid
CID 114103412
benzoic acid;2-methylphenol
CID 163780186
4-hydroxy-N,N,3-trimethylbenzamide
CID 59263635
(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methanone
CID 19890098

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid?
The IUPAC name of 3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid (CID 160831829) is 3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid.
What is the SMILES notation for 3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid?
The canonical SMILES for 3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1O.Cc1ccc(C(=O)O)cc1O.
What is the InChIKey of 3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid?
The InChIKey is SGWYUOYBPZDXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9;1-5-2-3-6(8(10)11)4-7(5)9/h2*2-4,9H,1H3,(H,10,11).
What are the key properties of 3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid?
3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid has a molecular weight of 304.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid is sourced from PubChem (CID 160831829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).