2,3-dihexylbenzene-1,4-diol

C18H30O2 — CID 69329716

IUPAC2,3-dihexylbenzene-1,4-diol
SMILESCCCCCCc1c(O)ccc(O)c1CCCCCC
InChIInChI=1S/C18H30O2/c1-3-5-7-9-11-15-16(12-10-8-6-4-2)18(20)14-13-17(15)19/h13-14,19-20H,3-12H2,1-2H3
InChIKeyYILVXCYDFVEUQB-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.34
Rot. Bonds10

About 2,3-dihexylbenzene-1,4-diol

2,3-dihexylbenzene-1,4-diol (PubChem CID 69329716) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2,3-dihexylbenzene-1,4-diol.

Molecular Properties

Compound Name2,3-dihexylbenzene-1,4-diol
PubChem CID69329716
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name2,3-dihexylbenzene-1,4-diol
SMILESCCCCCCc1c(O)ccc(O)c1CCCCCC
InChIInChI=1S/C18H30O2/c1-3-5-7-9-11-15-16(12-10-8-6-4-2)18(20)14-13-17(15)19/h13-14,19-20H,3-12H2,1-2H3
InChIKeyYILVXCYDFVEUQB-UHFFFAOYSA-N
XLogP5.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-dihexylbenzene-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

Related Compounds

3,4-diheptyl-2-hexylphenol
CID 66866250
2-methyl-3-octylbenzene-1,4-diol
CID 67742656
3-ethyl-4-methyl-2-nonylphenol
CID 66865942
4-butyl-2-decyl-3-octylphenol
CID 66866306
2,3-dibutyl-4-nonylphenol
CID 23325139
4-ethyl-3-hexyl-2-octylphenol
CID 66866506
4-ethyl-2-heptyl-3-pentylphenol
CID 66865655
2-heptyl-4-methyl-3-propylphenol
CID 66865859
2-chloro-3-dodecylbenzene-1,4-diol
CID 54013851
4-tert-butyl-2,3-dioctadecylphenol
CID 22446922
molybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride
CID 175333196
2-pentylbenzene-1,3-diol
CID 15007741

Frequently Asked Questions

What is the IUPAC name of 2,3-dihexylbenzene-1,4-diol?
The IUPAC name of 2,3-dihexylbenzene-1,4-diol (CID 69329716) is 2,3-dihexylbenzene-1,4-diol.
What is the SMILES notation for 2,3-dihexylbenzene-1,4-diol?
The canonical SMILES for 2,3-dihexylbenzene-1,4-diol is CCCCCCc1c(O)ccc(O)c1CCCCCC.
What is the InChIKey of 2,3-dihexylbenzene-1,4-diol?
The InChIKey is YILVXCYDFVEUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-3-5-7-9-11-15-16(12-10-8-6-4-2)18(20)14-13-17(15)19/h13-14,19-20H,3-12H2,1-2H3.
What are the key properties of 2,3-dihexylbenzene-1,4-diol?
2,3-dihexylbenzene-1,4-diol has a molecular weight of 278.44 g/mol, XLogP of 5.34, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihexylbenzene-1,4-diol is sourced from PubChem (CID 69329716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).