2-methylbenzene-1,3-diol;phenol

C19H20O4 — CID 161016987

IUPAC2-methylbenzene-1,3-diol;phenol
SMILESCc1c(O)cccc1O.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C7H8O2.2C6H6O/c1-5-6(8)3-2-4-7(5)9;2*7-6-4-2-1-3-5-6/h2-4,8-9H,1H3;2*1-5,7H
InChIKeyTXVXODDVNXVLFG-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.19
Rot. Bonds

About 2-methylbenzene-1,3-diol;phenol

2-methylbenzene-1,3-diol;phenol (PubChem CID 161016987) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-methylbenzene-1,3-diol;phenol.

Molecular Properties

Compound Name2-methylbenzene-1,3-diol;phenol
PubChem CID161016987
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name2-methylbenzene-1,3-diol;phenol
SMILESCc1c(O)cccc1O.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C7H8O2.2C6H6O/c1-5-6(8)3-2-4-7(5)9;2*7-6-4-2-1-3-5-6/h2-4,8-9H,1H3;2*1-5,7H
InChIKeyTXVXODDVNXVLFG-UHFFFAOYSA-N
XLogP4.19
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-methylbenzene-1,3-diol;phenol 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-methylbenzene-1,3-diol
CID 139200813
3-hydroxy-2-methylbenzaldehyde;phenol
CID 87138330
ethane;phenol
CID 161156308
bis(2,6-dimethylphenol);2-methylphenol;phenol
CID 67931850
phenol;chloride
CID 23313261
neodymium;phenol
CID 154361260
argon;phenol
CID 159678450
molybdenum;phenol
CID 154246724
CID 67496590
CID 67496590
phenol;tantalum
CID 19915613
phenol;titanium(2+)
CID 23042599
phenol;phosphane
CID 159689182

Frequently Asked Questions

What is the IUPAC name of 2-methylbenzene-1,3-diol;phenol?
The IUPAC name of 2-methylbenzene-1,3-diol;phenol (CID 161016987) is 2-methylbenzene-1,3-diol;phenol.
What is the SMILES notation for 2-methylbenzene-1,3-diol;phenol?
The canonical SMILES for 2-methylbenzene-1,3-diol;phenol is Cc1c(O)cccc1O.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of 2-methylbenzene-1,3-diol;phenol?
The InChIKey is TXVXODDVNXVLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.2C6H6O/c1-5-6(8)3-2-4-7(5)9;2*7-6-4-2-1-3-5-6/h2-4,8-9H,1H3;2*1-5,7H.
What are the key properties of 2-methylbenzene-1,3-diol;phenol?
2-methylbenzene-1,3-diol;phenol has a molecular weight of 312.37 g/mol, XLogP of 4.19, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzene-1,3-diol;phenol is sourced from PubChem (CID 161016987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).