3-hydroxy-4-methoxybenzoic acid

C8H8O4 — CID 12575

IUPAC3-hydroxy-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1O
InChIInChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)
InChIKeyLBKFGYZQBSGRHY-UHFFFAOYSA-N
MW168.15 g/mol
LogP1.10
Rot. Bonds2

About 3-hydroxy-4-methoxybenzoic acid

3-hydroxy-4-methoxybenzoic acid (PubChem CID 12575) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is 3-hydroxy-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-hydroxy-4-methoxybenzoic acid
PubChem CID12575
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name3-hydroxy-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1O
InChIInChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)
InChIKeyLBKFGYZQBSGRHY-UHFFFAOYSA-N
XLogP1.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-methoxybenzoic acid;molecular hydrogen
CID 50930804
4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid
CID 53220977
3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid
CID 53226280
3-borono-4-methoxybenzoic acid
CID 42614541
benzoic acid;4-hydroxy-3-methoxybenzoic acid
CID 159798679
2-chloro-1-(3-hydroxy-4-methoxyphenyl)ethanone
CID 15110269
(3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 59116114
3-hydroxy-4-(2-methylprop-2-enoyloxy)benzoic acid
CID 139746465
3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228622
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxybenzoic acid?
The IUPAC name of 3-hydroxy-4-methoxybenzoic acid (CID 12575) is 3-hydroxy-4-methoxybenzoic acid.
What is the SMILES notation for 3-hydroxy-4-methoxybenzoic acid?
The canonical SMILES for 3-hydroxy-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1O.
What is the InChIKey of 3-hydroxy-4-methoxybenzoic acid?
The InChIKey is LBKFGYZQBSGRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11).
What are the key properties of 3-hydroxy-4-methoxybenzoic acid?
3-hydroxy-4-methoxybenzoic acid has a molecular weight of 168.15 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxybenzoic acid is sourced from PubChem (CID 12575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).