2-(2-chlorophenyl)-4-methylpentan-3-ol

C12H17ClO — CID 79299181

IUPAC2-(2-chlorophenyl)-4-methylpentan-3-ol
SMILESCC(C)C(O)C(C)c1ccccc1Cl
InChIInChI=1S/C12H17ClO/c1-8(2)12(14)9(3)10-6-4-5-7-11(10)13/h4-9,12,14H,1-3H3
InChIKeyPVUYCEKDOHFMNR-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.46
Rot. Bonds3

About 2-(2-chlorophenyl)-4-methylpentan-3-ol

2-(2-chlorophenyl)-4-methylpentan-3-ol (PubChem CID 79299181) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-methylpentan-3-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-methylpentan-3-ol
PubChem CID79299181
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name2-(2-chlorophenyl)-4-methylpentan-3-ol
SMILESCC(C)C(O)C(C)c1ccccc1Cl
InChIInChI=1S/C12H17ClO/c1-8(2)12(14)9(3)10-6-4-5-7-11(10)13/h4-9,12,14H,1-3H3
InChIKeyPVUYCEKDOHFMNR-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)pentan-3-ol
CID 79298704
1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol
CID 114980469
(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
1-(2-chlorophenyl)propane-1,2-diol;ethane
CID 144705754
3-(2-chlorophenyl)-2-methylbutanoic acid
CID 81008605
2-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-6-chlorophenol
CID 131290563
1-chloro-2-(2,2,4-trimethylpentan-3-yl)benzene
CID 154618386
(R)-(2-chlorophenyl)-(4-methylphenyl)methanol
CID 7107251
1-[1-(2-chlorophenyl)ethylamino]-3-methylbutan-2-ol
CID 111755606
1-(2-chlorophenyl)ethylazanium chloride
CID 160644474
3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol
CID 60734098
5-(2-chlorophenyl)hexane-2,3-diol
CID 83924274

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-methylpentan-3-ol?
The IUPAC name of 2-(2-chlorophenyl)-4-methylpentan-3-ol (CID 79299181) is 2-(2-chlorophenyl)-4-methylpentan-3-ol.
What is the SMILES notation for 2-(2-chlorophenyl)-4-methylpentan-3-ol?
The canonical SMILES for 2-(2-chlorophenyl)-4-methylpentan-3-ol is CC(C)C(O)C(C)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-4-methylpentan-3-ol?
The InChIKey is PVUYCEKDOHFMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO/c1-8(2)12(14)9(3)10-6-4-5-7-11(10)13/h4-9,12,14H,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-4-methylpentan-3-ol?
2-(2-chlorophenyl)-4-methylpentan-3-ol has a molecular weight of 212.72 g/mol, XLogP of 3.46, 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-3-ol is sourced from PubChem (CID 79299181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).