benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid

C14H14O5 — CID 67940861

IUPACbenzene-1,4-diol;4-hydroxy-2-methylbenzoic acid
SMILESCc1cc(O)ccc1C(=O)O.Oc1ccc(O)cc1
InChIInChI=1S/C8H8O3.C6H6O2/c1-5-4-6(9)2-3-7(5)8(10)11;7-5-1-2-6(8)4-3-5/h2-4,9H,1H3,(H,10,11);1-4,7-8H
InChIKeyBNVKAQDWSXWGPW-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.50
Rot. Bonds1

About benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid

benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid (PubChem CID 67940861) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid.

Molecular Properties

Compound Namebenzene-1,4-diol;4-hydroxy-2-methylbenzoic acid
PubChem CID67940861
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Namebenzene-1,4-diol;4-hydroxy-2-methylbenzoic acid
SMILESCc1cc(O)ccc1C(=O)O.Oc1ccc(O)cc1
InChIInChI=1S/C8H8O3.C6H6O2/c1-5-4-6(9)2-3-7(5)8(10)11;7-5-1-2-6(8)4-3-5/h2-4,9H,1H3,(H,10,11);1-4,7-8H
InChIKeyBNVKAQDWSXWGPW-UHFFFAOYSA-N
XLogP2.50
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid
CID 70039080
4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid
CID 70586681
2,3-bis(4-hydroxy-2-methylphenyl)terephthalic acid
CID 67898898
4-hydroxy-2-methylbenzoyl chloride
CID 103689413
2,4-dihydroxybenzoic acid
CID 1491
4-hydroxyphthalic acid;hydrate
CID 171991193
CID 162313209
CID 162313209
4-(4-hydroxy-2-methylbenzoyl)oxybenzoic acid
CID 23202389
5-(4-hydroxy-2-methylphenyl)-5-oxopentanoic acid
CID 82264606
4-hydroxy-2-methylbenzoic acid;octadecan-1-ol;propane-1,2,3-triol
CID 174455621
4-[2-(4-carboxy-3-methylphenyl)propan-2-yl]-2-methylbenzoic acid
CID 67542151
4-chloro-2-methylbenzoic acid;ethane
CID 145482472

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid?
The IUPAC name of benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid (CID 67940861) is benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid.
What is the SMILES notation for benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid?
The canonical SMILES for benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid is Cc1cc(O)ccc1C(=O)O.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid?
The InChIKey is BNVKAQDWSXWGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C6H6O2/c1-5-4-6(9)2-3-7(5)8(10)11;7-5-1-2-6(8)4-3-5/h2-4,9H,1H3,(H,10,11);1-4,7-8H.
What are the key properties of benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid?
benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid has a molecular weight of 262.26 g/mol, XLogP of 2.50, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid is sourced from PubChem (CID 67940861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).