benzene-1,2-diol;propan-2-ol

C9H14O3 — CID 144664669

IUPACbenzene-1,2-diol;propan-2-ol
SMILESCC(C)O.Oc1ccccc1O
InChIInChI=1S/C6H6O2.C3H8O/c7-5-3-1-2-4-6(5)8;1-3(2)4/h1-4,7-8H;3-4H,1-2H3
InChIKeyZXOSDVGVUCKCTN-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.48
Rot. Bonds

About benzene-1,2-diol;propan-2-ol

benzene-1,2-diol;propan-2-ol (PubChem CID 144664669) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is benzene-1,2-diol;propan-2-ol.

Molecular Properties

Compound Namebenzene-1,2-diol;propan-2-ol
PubChem CID144664669
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namebenzene-1,2-diol;propan-2-ol
SMILESCC(C)O.Oc1ccccc1O
InChIInChI=1S/C6H6O2.C3H8O/c7-5-3-1-2-4-6(5)8;1-3(2)4/h1-4,7-8H;3-4H,1-2H3
InChIKeyZXOSDVGVUCKCTN-UHFFFAOYSA-N
XLogP1.48
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze benzene-1,2-diol;propan-2-ol 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 benzene-1,2-diol;propan-2-ol?
The IUPAC name of benzene-1,2-diol;propan-2-ol (CID 144664669) is benzene-1,2-diol;propan-2-ol.
What is the SMILES notation for benzene-1,2-diol;propan-2-ol?
The canonical SMILES for benzene-1,2-diol;propan-2-ol is CC(C)O.Oc1ccccc1O.
What is the InChIKey of benzene-1,2-diol;propan-2-ol?
The InChIKey is ZXOSDVGVUCKCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C3H8O/c7-5-3-1-2-4-6(5)8;1-3(2)4/h1-4,7-8H;3-4H,1-2H3.
What are the key properties of benzene-1,2-diol;propan-2-ol?
benzene-1,2-diol;propan-2-ol has a molecular weight of 170.21 g/mol, XLogP of 1.48, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;propan-2-ol is sourced from PubChem (CID 144664669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).