2-(4-hydroxy-3-methoxy-3-methylbutyl)phenol

C12H18O3 — CID 105464121

IUPAC2-(4-hydroxy-3-methoxy-3-methylbutyl)phenol
SMILESCOC(C)(CO)CCc1ccccc1O
InChIInChI=1S/C12H18O3/c1-12(9-13,15-2)8-7-10-5-3-4-6-11(10)14/h3-6,13-14H,7-9H2,1-2H3
InChIKeyVDBWNTMWJVPEHL-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.72
Rot. Bonds5

About 2-(4-hydroxy-3-methoxy-3-methylbutyl)phenol

2-(4-hydroxy-3-methoxy-3-methylbutyl)phenol (PubChem CID 105464121) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxy-3-methylbutyl)phenol.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxy-3-methylbutyl)phenol
PubChem CID105464121
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-(4-hydroxy-3-methoxy-3-methylbutyl)phenol
SMILESCOC(C)(CO)CCc1ccccc1O
InChIInChI=1S/C12H18O3/c1-12(9-13,15-2)8-7-10-5-3-4-6-11(10)14/h3-6,13-14H,7-9H2,1-2H3
InChIKeyVDBWNTMWJVPEHL-UHFFFAOYSA-N
XLogP1.72
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-hydroxy-3-methoxy-3-methylbutyl)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-(3-amino-3-methylbutyl)phenol
CID 19863683
methyl 4-(2-hydroxyphenyl)-2,2-dimethylbutanoate
CID 146319114
4-(3-chlorophenyl)-2-methoxy-2-methylbutan-1-ol
CID 105486089
2-(3-hydroxy-2,2-dimethylpropyl)phenol
CID 135339227
CID 175749710
CID 175749710
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
2-(1-hydroxy-2-methoxypropan-2-yl)phenol
CID 105440004
calcium;hydride;2-(hydroxymethyl)phenol
CID 173090882
2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol
CID 115884791
2-(2-hydroxyphenyl)ethyl methyl carbonate
CID 102381478
2,2-bis(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite;2-nonylphenol
CID 159052970
2-(2-aminooxy-2-methylpropyl)phenol
CID 117104866

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxy-3-methylbutyl)phenol?
The IUPAC name of 2-(4-hydroxy-3-methoxy-3-methylbutyl)phenol (CID 105464121) is 2-(4-hydroxy-3-methoxy-3-methylbutyl)phenol.
What is the SMILES notation for 2-(4-hydroxy-3-methoxy-3-methylbutyl)phenol?
The canonical SMILES for 2-(4-hydroxy-3-methoxy-3-methylbutyl)phenol is COC(C)(CO)CCc1ccccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxy-3-methylbutyl)phenol?
The InChIKey is VDBWNTMWJVPEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-12(9-13,15-2)8-7-10-5-3-4-6-11(10)14/h3-6,13-14H,7-9H2,1-2H3.
What are the key properties of 2-(4-hydroxy-3-methoxy-3-methylbutyl)phenol?
2-(4-hydroxy-3-methoxy-3-methylbutyl)phenol has a molecular weight of 210.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxy-3-methylbutyl)phenol is sourced from PubChem (CID 105464121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).