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

C13H19ClO — CID 12969771

IUPAC4-(4-chlorophenyl)-2,4-dimethylpentan-2-ol
SMILESCC(C)(O)CC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClO/c1-12(2,9-13(3,4)15)10-5-7-11(14)8-6-10/h5-8,15H,9H2,1-4H3
InChIKeyRPQUMOMTQVIIHI-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.78
Rot. Bonds3

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

4-(4-chlorophenyl)-2,4-dimethylpentan-2-ol (PubChem CID 12969771) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2,4-dimethylpentan-2-ol
PubChem CID12969771
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name4-(4-chlorophenyl)-2,4-dimethylpentan-2-ol
SMILESCC(C)(O)CC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClO/c1-12(2,9-13(3,4)15)10-5-7-11(14)8-6-10/h5-8,15H,9H2,1-4H3
InChIKeyRPQUMOMTQVIIHI-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)pentan-2-ol
CID 23555553
1-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60794087
1-amino-1-(4-chlorophenyl)ethanol
CID 23370677
(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652
1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride
CID 17039441
[[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol
CID 115229593
2-[4-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine
CID 82090050
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide
CID 115167558
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 110460951
1-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol
CID 63155579
2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol
CID 115216485

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2,4-dimethylpentan-2-ol?
The IUPAC name of 4-(4-chlorophenyl)-2,4-dimethylpentan-2-ol (CID 12969771) is 4-(4-chlorophenyl)-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-2,4-dimethylpentan-2-ol?
The canonical SMILES for 4-(4-chlorophenyl)-2,4-dimethylpentan-2-ol is CC(C)(O)CC(C)(C)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2,4-dimethylpentan-2-ol?
The InChIKey is RPQUMOMTQVIIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO/c1-12(2,9-13(3,4)15)10-5-7-11(14)8-6-10/h5-8,15H,9H2,1-4H3.
What are the key properties of 4-(4-chlorophenyl)-2,4-dimethylpentan-2-ol?
4-(4-chlorophenyl)-2,4-dimethylpentan-2-ol has a molecular weight of 226.75 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 12969771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).