2-butyl-6-phenylbenzene-1,4-diol

C16H18O2 — CID 23109144

IUPAC2-butyl-6-phenylbenzene-1,4-diol
SMILESCCCCc1cc(O)cc(-c2ccccc2)c1O
InChIInChI=1S/C16H18O2/c1-2-3-7-13-10-14(17)11-15(16(13)18)12-8-5-4-6-9-12/h4-6,8-11,17-18H,2-3,7H2,1H3
InChIKeyRCSRSTXKPRINNN-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.11
Rot. Bonds4

About 2-butyl-6-phenylbenzene-1,4-diol

2-butyl-6-phenylbenzene-1,4-diol (PubChem CID 23109144) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-butyl-6-phenylbenzene-1,4-diol.

Molecular Properties

Compound Name2-butyl-6-phenylbenzene-1,4-diol
PubChem CID23109144
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-butyl-6-phenylbenzene-1,4-diol
SMILESCCCCc1cc(O)cc(-c2ccccc2)c1O
InChIInChI=1S/C16H18O2/c1-2-3-7-13-10-14(17)11-15(16(13)18)12-8-5-4-6-9-12/h4-6,8-11,17-18H,2-3,7H2,1H3
InChIKeyRCSRSTXKPRINNN-UHFFFAOYSA-N
XLogP4.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-butyl-6-phenylbenzene-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

2-(3-butyl-4-phenylphenyl)phenol
CID 174552804
2,6-di(tridecyl)benzene-1,4-diol
CID 19033571
2,6-di(undecyl)benzene-1,4-diol
CID 139946395
3-ethyl-4-nonyl-2,6-diphenylphenol
CID 174697041
3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol
CID 23353932
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
1,2-dibutyl-3,5-diphenylbenzene
CID 174699980
1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
CID 174532098
4-(5-butyl-4-phenylthiophen-2-yl)phenol
CID 11312874
2-methyl-4-nonyl-6-phenylphenol
CID 174342860
4-phenyl-2,6-dipropylphenol
CID 66879307
1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene
CID 174571021

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-phenylbenzene-1,4-diol?
The IUPAC name of 2-butyl-6-phenylbenzene-1,4-diol (CID 23109144) is 2-butyl-6-phenylbenzene-1,4-diol.
What is the SMILES notation for 2-butyl-6-phenylbenzene-1,4-diol?
The canonical SMILES for 2-butyl-6-phenylbenzene-1,4-diol is CCCCc1cc(O)cc(-c2ccccc2)c1O.
What is the InChIKey of 2-butyl-6-phenylbenzene-1,4-diol?
The InChIKey is RCSRSTXKPRINNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-2-3-7-13-10-14(17)11-15(16(13)18)12-8-5-4-6-9-12/h4-6,8-11,17-18H,2-3,7H2,1H3.
What are the key properties of 2-butyl-6-phenylbenzene-1,4-diol?
2-butyl-6-phenylbenzene-1,4-diol has a molecular weight of 242.32 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-phenylbenzene-1,4-diol is sourced from PubChem (CID 23109144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).