2-(3-chloro-2-methylphenyl)-3-methylbutan-2-ol

C12H17ClO — CID 91657388

IUPAC2-(3-chloro-2-methylphenyl)-3-methylbutan-2-ol
SMILESCc1c(Cl)cccc1C(C)(O)C(C)C
InChIInChI=1S/C12H17ClO/c1-8(2)12(4,14)10-6-5-7-11(13)9(10)3/h5-8,14H,1-4H3
InChIKeyUOONBJWDGAQMJT-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.51
Rot. Bonds2

About 2-(3-chloro-2-methylphenyl)-3-methylbutan-2-ol

2-(3-chloro-2-methylphenyl)-3-methylbutan-2-ol (PubChem CID 91657388) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 2-(3-chloro-2-methylphenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-(3-chloro-2-methylphenyl)-3-methylbutan-2-ol
PubChem CID91657388
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name2-(3-chloro-2-methylphenyl)-3-methylbutan-2-ol
SMILESCc1c(Cl)cccc1C(C)(O)C(C)C
InChIInChI=1S/C12H17ClO/c1-8(2)12(4,14)10-6-5-7-11(13)9(10)3/h5-8,14H,1-4H3
InChIKeyUOONBJWDGAQMJT-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-chloro-2-methylphenyl)-3-methylbutan-2-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

2-(2,3-dimethylphenyl)-3-methylbutan-2-ol
CID 62549372
1,3-diamino-2-(3-chloro-2-methylphenyl)propan-2-ol
CID 57039824
3-amino-2-(2,3-dichlorophenyl)butan-2-ol
CID 130574322
(2R)-2-(3-chloro-2-methylphenyl)pentan-2-ol
CID 97294320
2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol
CID 117288137
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
(2S)-2-(5-chloro-2-methylphenyl)-3-methylbutan-2-ol
CID 97294242
2-(2-chlorophenyl)propan-2-ol
CID 12759846
2-(2,3-dichlorophenyl)-1,1-dimethoxypropan-2-ol
CID 66037184
2-(2-chlorophenyl)-4-methylpentan-2-ol
CID 43810129
1-(3-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 154878722
1-(2,6-dichloroanilino)-2,3-dimethylbutan-2-ol
CID 114493258

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylphenyl)-3-methylbutan-2-ol?
The IUPAC name of 2-(3-chloro-2-methylphenyl)-3-methylbutan-2-ol (CID 91657388) is 2-(3-chloro-2-methylphenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 2-(3-chloro-2-methylphenyl)-3-methylbutan-2-ol?
The canonical SMILES for 2-(3-chloro-2-methylphenyl)-3-methylbutan-2-ol is Cc1c(Cl)cccc1C(C)(O)C(C)C.
What is the InChIKey of 2-(3-chloro-2-methylphenyl)-3-methylbutan-2-ol?
The InChIKey is UOONBJWDGAQMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO/c1-8(2)12(4,14)10-6-5-7-11(13)9(10)3/h5-8,14H,1-4H3.
What are the key properties of 2-(3-chloro-2-methylphenyl)-3-methylbutan-2-ol?
2-(3-chloro-2-methylphenyl)-3-methylbutan-2-ol has a molecular weight of 212.72 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylphenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 91657388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).