(1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol

C11H15ClO — CID 58172166

IUPAC(1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO/c1-11(2,3)10(13)8-4-6-9(12)7-5-8/h4-7,10,13H,1-3H3/t10-/m1/s1
InChIKeyKVQHMAMNJSQJBE-SNVBAGLBSA-N
MW198.69 g/mol
LogP3.42
Rot. Bonds1

About (1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol

(1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol (PubChem CID 58172166) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol
PubChem CID58172166
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name(1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO/c1-11(2,3)10(13)8-4-6-9(12)7-5-8/h4-7,10,13H,1-3H3/t10-/m1/s1
InChIKeyKVQHMAMNJSQJBE-SNVBAGLBSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-2-ethylbutane-1,2-diol
CID 103449208
2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol
CID 156884075
4-(1-hydroxy-2,2-dimethylpropyl)benzoic acid
CID 11820369
1-(4-chlorophenyl)-3,3-dimethylbutane-1,2-diamine
CID 69494037
1-[4-(hydroxymethyl)phenyl]-2,2-dimethylpropan-1-ol
CID 21425202
1-(4-chlorophenyl)-2-ethyl-2-methylbut-3-yn-1-ol
CID 100937923
1-(4-chlorophenyl)-2,2,3,3-tetrafluoropropan-1-ol
CID 54771882
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
(2R,3R)-2-(4-chlorophenyl)-3-hydroxy-4,4-dimethylpentanenitrile
CID 10799914
2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol
CID 130269359
1,2-bis[1-(4-chlorophenyl)-2,2-dimethylpropyl]hydrazine
CID 13095453
1-(4-chlorophenyl)-2-diphenylphosphoryl-2-methylpropan-1-ol
CID 101093613

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of (1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol (CID 58172166) is (1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol is CC(C)(C)[C@H](O)c1ccc(Cl)cc1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol?
The InChIKey is KVQHMAMNJSQJBE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15ClO/c1-11(2,3)10(13)8-4-6-9(12)7-5-8/h4-7,10,13H,1-3H3/t10-/m1/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol?
(1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol has a molecular weight of 198.69 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 58172166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).