2-(2-chloro-3,5-dimethylphenyl)-2-methylpropan-1-ol

C12H17ClO — CID 117303450

IUPAC2-(2-chloro-3,5-dimethylphenyl)-2-methylpropan-1-ol
SMILESCc1cc(C)c(Cl)c(C(C)(C)CO)c1
InChIInChI=1S/C12H17ClO/c1-8-5-9(2)11(13)10(6-8)12(3,4)7-14/h5-6,14H,7H2,1-4H3
InChIKeyJUEISCGJGVQKJV-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.23
Rot. Bonds2

About 2-(2-chloro-3,5-dimethylphenyl)-2-methylpropan-1-ol

2-(2-chloro-3,5-dimethylphenyl)-2-methylpropan-1-ol (PubChem CID 117303450) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 2-(2-chloro-3,5-dimethylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2-chloro-3,5-dimethylphenyl)-2-methylpropan-1-ol
PubChem CID117303450
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name2-(2-chloro-3,5-dimethylphenyl)-2-methylpropan-1-ol
SMILESCc1cc(C)c(Cl)c(C(C)(C)CO)c1
InChIInChI=1S/C12H17ClO/c1-8-5-9(2)11(13)10(6-8)12(3,4)7-14/h5-6,14H,7H2,1-4H3
InChIKeyJUEISCGJGVQKJV-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol
CID 117288132
2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol
CID 117308722
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol
CID 117358931
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 82297608
(3-tert-butyl-2-chloro-5-methylphenyl)methanol
CID 170078699
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,6-dimethylphenol
CID 131196188
2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82288338
2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol
CID 117445061
2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol
CID 117113719
2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol
CID 117288137
2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol
CID 117400999
2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol
CID 117315005

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3,5-dimethylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(2-chloro-3,5-dimethylphenyl)-2-methylpropan-1-ol (CID 117303450) is 2-(2-chloro-3,5-dimethylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2-chloro-3,5-dimethylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(2-chloro-3,5-dimethylphenyl)-2-methylpropan-1-ol is Cc1cc(C)c(Cl)c(C(C)(C)CO)c1.
What is the InChIKey of 2-(2-chloro-3,5-dimethylphenyl)-2-methylpropan-1-ol?
The InChIKey is JUEISCGJGVQKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO/c1-8-5-9(2)11(13)10(6-8)12(3,4)7-14/h5-6,14H,7H2,1-4H3.
What are the key properties of 2-(2-chloro-3,5-dimethylphenyl)-2-methylpropan-1-ol?
2-(2-chloro-3,5-dimethylphenyl)-2-methylpropan-1-ol has a molecular weight of 212.72 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3,5-dimethylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117303450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).