1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol

C13H19ClO — CID 60918368

IUPAC1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol
SMILESCCC(C)C(C)(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClO/c1-4-10(2)13(3,15)9-11-5-7-12(14)8-6-11/h5-8,10,15H,4,9H2,1-3H3
InChIKeyHHBVDDOAEPRRNW-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.68
Rot. Bonds4

About 1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol

1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol (PubChem CID 60918368) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol
PubChem CID60918368
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol
SMILESCCC(C)C(C)(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClO/c1-4-10(2)13(3,15)9-11-5-7-12(14)8-6-11/h5-8,10,15H,4,9H2,1-3H3
InChIKeyHHBVDDOAEPRRNW-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol
CID 82919789
2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 65147130
1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol
CID 79444953
methyl 4-(4-chlorophenyl)-3-hydroxy-3-methyl-2-propan-2-ylbutanoate
CID 114081535
1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol
CID 107892822
1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 103038887
1-chloro-4-(2-chloro-2-methylpropyl)benzene
CID 82026569
1-(2,3-difluorophenyl)-2,3-dimethylpentan-2-ol
CID 65146702
(2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid
CID 130693679
1-chloro-4-[2-(chloromethyl)-2,3-dimethylbutyl]benzene
CID 83151864
1-(4-fluorophenyl)-2,3,5-trimethylhexan-2-ol
CID 114284823
1-(4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 58481762

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol (CID 60918368) is 1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol is CCC(C)C(C)(O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol?
The InChIKey is HHBVDDOAEPRRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO/c1-4-10(2)13(3,15)9-11-5-7-12(14)8-6-11/h5-8,10,15H,4,9H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol?
1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol has a molecular weight of 226.75 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol is sourced from PubChem (CID 60918368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).