2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol

C16H26O2 — CID 82297608

IUPAC2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
SMILESCOc1c(C(C)(C)C)cc(C)cc1C(C)(C)CO
InChIInChI=1S/C16H26O2/c1-11-8-12(15(2,3)4)14(18-7)13(9-11)16(5,6)10-17/h8-9,17H,10H2,1-7H3
InChIKeyUBZCYHPLULWVOI-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.57
Rot. Bonds3

About 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol

2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol (PubChem CID 82297608) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
PubChem CID82297608
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
SMILESCOc1c(C(C)(C)C)cc(C)cc1C(C)(C)CO
InChIInChI=1S/C16H26O2/c1-11-8-12(15(2,3)4)14(18-7)13(9-11)16(5,6)10-17/h8-9,17H,10H2,1-7H3
InChIKeyUBZCYHPLULWVOI-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol 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

1-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-hydroxyethanone
CID 82291654
1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol
CID 82292256
2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82288338
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol
CID 117358931
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 117349580
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol
CID 112513655
2-bromo-1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethanone
CID 82490218
2-[(2,6-ditert-butyl-4-methylphenoxy)methyl]-2-(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite
CID 175211738
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492168
3-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(methylamino)propan-1-ol
CID 112512927
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol
CID 117374422
[2-[[(2,6-ditert-butyl-4-methylphenoxy)-hydroxyphosphanyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propyl] (2,6-ditert-butyl-4-methylphenyl) hydrogen phosphite
CID 22672488

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol (CID 82297608) is 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol is COc1c(C(C)(C)C)cc(C)cc1C(C)(C)CO.
What is the InChIKey of 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol?
The InChIKey is UBZCYHPLULWVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-11-8-12(15(2,3)4)14(18-7)13(9-11)16(5,6)10-17/h8-9,17H,10H2,1-7H3.
What are the key properties of 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol?
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol has a molecular weight of 250.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 82297608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).