2-tert-butyl-6-methoxybenzene-1,4-diol

C11H16O3 — CID 121217885

IUPAC2-tert-butyl-6-methoxybenzene-1,4-diol
SMILESCOc1cc(O)cc(C(C)(C)C)c1O
InChIInChI=1S/C11H16O3/c1-11(2,3)8-5-7(12)6-9(14-4)10(8)13/h5-6,12-13H,1-4H3
InChIKeyVDWUTTTZNWVVBH-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.40
Rot. Bonds1

About 2-tert-butyl-6-methoxybenzene-1,4-diol

2-tert-butyl-6-methoxybenzene-1,4-diol (PubChem CID 121217885) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-tert-butyl-6-methoxybenzene-1,4-diol.

Molecular Properties

Compound Name2-tert-butyl-6-methoxybenzene-1,4-diol
PubChem CID121217885
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-tert-butyl-6-methoxybenzene-1,4-diol
SMILESCOc1cc(O)cc(C(C)(C)C)c1O
InChIInChI=1S/C11H16O3/c1-11(2,3)8-5-7(12)6-9(14-4)10(8)13/h5-6,12-13H,1-4H3
InChIKeyVDWUTTTZNWVVBH-UHFFFAOYSA-N
XLogP2.40
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-6-methoxybenzene-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-tert-butyl-4-(3-tert-butyl-4-hydroxy-5-methoxyphenyl)sulfanyl-6-methoxyphenol
CID 19389438
2-tert-butyl-6-methoxy-4-(2,2,2-trifluoroethyl)phenol
CID 132552220
bis(2,6-ditert-butylbenzene-1,4-diol);ethane-1,2-diol
CID 172795780
2,6-ditert-butyl-4-methoxyphenol
CID 10269
(2R,3R)-2,3-bis[(3-tert-butyl-4-hydroxy-5-methoxyphenyl)methyl]butanedioic acid
CID 11851419
2-tert-butyl-6-(4-hydroxy-3,5-dimethoxyphenyl)-4-methylphenol
CID 132548292
diethyl (2R,3R)-2,3-bis[(3-tert-butyl-4-hydroxy-5-methoxyphenyl)methyl]butanedioate
CID 11584884
4-bromo-3,5-dimethoxyphenol
CID 14339099
2,4-ditert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol
CID 102348051
2,6-ditert-butyl-4-[3-(4-hydroxy-3,5-dimethoxyphenyl)but-1-enyl]phenol
CID 123658516
2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol
CID 117349561
2-tert-butyl-5-chloro-4-methoxyphenol
CID 134599266

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methoxybenzene-1,4-diol?
The IUPAC name of 2-tert-butyl-6-methoxybenzene-1,4-diol (CID 121217885) is 2-tert-butyl-6-methoxybenzene-1,4-diol.
What is the SMILES notation for 2-tert-butyl-6-methoxybenzene-1,4-diol?
The canonical SMILES for 2-tert-butyl-6-methoxybenzene-1,4-diol is COc1cc(O)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-methoxybenzene-1,4-diol?
The InChIKey is VDWUTTTZNWVVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-11(2,3)8-5-7(12)6-9(14-4)10(8)13/h5-6,12-13H,1-4H3.
What are the key properties of 2-tert-butyl-6-methoxybenzene-1,4-diol?
2-tert-butyl-6-methoxybenzene-1,4-diol has a molecular weight of 196.25 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methoxybenzene-1,4-diol is sourced from PubChem (CID 121217885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).