2-methyl-5-prop-1-en-2-ylbenzene-1,4-diol

C10H12O2 — CID 10749539

IUPAC2-methyl-5-prop-1-en-2-ylbenzene-1,4-diol
SMILESC=C(C)c1cc(O)c(C)cc1O
InChIInChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-5,11-12H,1H2,2-3H3
InChIKeyTUBKRNYLIIIOAU-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.44
Rot. Bonds1

About 2-methyl-5-prop-1-en-2-ylbenzene-1,4-diol

2-methyl-5-prop-1-en-2-ylbenzene-1,4-diol (PubChem CID 10749539) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-methyl-5-prop-1-en-2-ylbenzene-1,4-diol.

Molecular Properties

Compound Name2-methyl-5-prop-1-en-2-ylbenzene-1,4-diol
PubChem CID10749539
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-methyl-5-prop-1-en-2-ylbenzene-1,4-diol
SMILESC=C(C)c1cc(O)c(C)cc1O
InChIInChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-5,11-12H,1H2,2-3H3
InChIKeyTUBKRNYLIIIOAU-UHFFFAOYSA-N
XLogP2.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-5-prop-1-en-2-ylbenzene-1,4-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-prop-1-en-2-ylbenzene-1,4-diol?
The IUPAC name of 2-methyl-5-prop-1-en-2-ylbenzene-1,4-diol (CID 10749539) is 2-methyl-5-prop-1-en-2-ylbenzene-1,4-diol.
What is the SMILES notation for 2-methyl-5-prop-1-en-2-ylbenzene-1,4-diol?
The canonical SMILES for 2-methyl-5-prop-1-en-2-ylbenzene-1,4-diol is C=C(C)c1cc(O)c(C)cc1O.
What is the InChIKey of 2-methyl-5-prop-1-en-2-ylbenzene-1,4-diol?
The InChIKey is TUBKRNYLIIIOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-5,11-12H,1H2,2-3H3.
What are the key properties of 2-methyl-5-prop-1-en-2-ylbenzene-1,4-diol?
2-methyl-5-prop-1-en-2-ylbenzene-1,4-diol has a molecular weight of 164.20 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-prop-1-en-2-ylbenzene-1,4-diol is sourced from PubChem (CID 10749539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).