2-(2-chlorophenyl)-4-methylpentan-2-ol

C12H17ClO — CID 43810129

IUPAC2-(2-chlorophenyl)-4-methylpentan-2-ol
SMILESCC(C)CC(C)(O)c1ccccc1Cl
InChIInChI=1S/C12H17ClO/c1-9(2)8-12(3,14)10-6-4-5-7-11(10)13/h4-7,9,14H,8H2,1-3H3
InChIKeyRGJHFYLVUDAFCP-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.59
Rot. Bonds3

About 2-(2-chlorophenyl)-4-methylpentan-2-ol

2-(2-chlorophenyl)-4-methylpentan-2-ol (PubChem CID 43810129) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-methylpentan-2-ol
PubChem CID43810129
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name2-(2-chlorophenyl)-4-methylpentan-2-ol
SMILESCC(C)CC(C)(O)c1ccccc1Cl
InChIInChI=1S/C12H17ClO/c1-9(2)8-12(3,14)10-6-4-5-7-11(10)13/h4-7,9,14H,8H2,1-3H3
InChIKeyRGJHFYLVUDAFCP-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)propan-2-ol
CID 65145239
2-(2-chlorophenyl)-1-phenylpropan-2-ol
CID 43810130
2-(2-chlorophenyl)propan-2-ol
CID 12759846
4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride
CID 140625468
1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol
CID 62773407
(2S)-1-azido-2-(2-chlorophenyl)propan-2-ol
CID 70910200
2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol
CID 60928779
2-(2-chlorophenyl)-1-(2-methylphenyl)propan-2-ol
CID 54919421
2-(2-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
CID 65145288
2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol
CID 133472200
2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 110061985
(2S)-2-(2-chlorophenyl)but-3-en-2-ol
CID 46918958

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-methylpentan-2-ol?
The IUPAC name of 2-(2-chlorophenyl)-4-methylpentan-2-ol (CID 43810129) is 2-(2-chlorophenyl)-4-methylpentan-2-ol.
What is the SMILES notation for 2-(2-chlorophenyl)-4-methylpentan-2-ol?
The canonical SMILES for 2-(2-chlorophenyl)-4-methylpentan-2-ol is CC(C)CC(C)(O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-4-methylpentan-2-ol?
The InChIKey is RGJHFYLVUDAFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO/c1-9(2)8-12(3,14)10-6-4-5-7-11(10)13/h4-7,9,14H,8H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-4-methylpentan-2-ol?
2-(2-chlorophenyl)-4-methylpentan-2-ol has a molecular weight of 212.72 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-methylpentan-2-ol is sourced from PubChem (CID 43810129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).