2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol

C11H15ClO — CID 117288132

IUPAC2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol
SMILESCc1ccc(C(C)(C)CO)c(Cl)c1
InChIInChI=1S/C11H15ClO/c1-8-4-5-9(10(12)6-8)11(2,3)7-13/h4-6,13H,7H2,1-3H3
InChIKeyQRXIKBIUCUDWED-UHFFFAOYSA-N
MW198.69 g/mol
LogP2.92
Rot. Bonds2

About 2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol

2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol (PubChem CID 117288132) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol
PubChem CID117288132
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol
SMILESCc1ccc(C(C)(C)CO)c(Cl)c1
InChIInChI=1S/C11H15ClO/c1-8-4-5-9(10(12)6-8)11(2,3)7-13/h4-6,13H,7H2,1-3H3
InChIKeyQRXIKBIUCUDWED-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-chloro-4-(fluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117308713
2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117363935
(3S)-3-amino-3-(2-chloro-4-methylphenyl)butan-1-ol
CID 130615118
2-(2-chloro-4-methylphenyl)propan-2-amine
CID 83696800
2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol
CID 117445061
2-(2-chloro-3,5-dimethylphenyl)-2-methylpropan-1-ol
CID 117303450
2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol
CID 117288137
2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol
CID 117308722
2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82296791
6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117333416
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol
CID 130715029
2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol
CID 117315005

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol (CID 117288132) is 2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol is Cc1ccc(C(C)(C)CO)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol?
The InChIKey is QRXIKBIUCUDWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-8-4-5-9(10(12)6-8)11(2,3)7-13/h4-6,13H,7H2,1-3H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol?
2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol has a molecular weight of 198.69 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117288132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).