1-chloro-1,1-diphenylpropan-2-ol

C15H15ClO — CID 174806376

IUPAC1-chloro-1,1-diphenylpropan-2-ol
SMILESCC(O)C(Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15ClO/c1-12(17)15(16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,17H,1H3
InChIKeyICUKDWASLVXTJC-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.55
Rot. Bonds3

About 1-chloro-1,1-diphenylpropan-2-ol

1-chloro-1,1-diphenylpropan-2-ol (PubChem CID 174806376) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-chloro-1,1-diphenylpropan-2-ol.

Molecular Properties

Compound Name1-chloro-1,1-diphenylpropan-2-ol
PubChem CID174806376
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name1-chloro-1,1-diphenylpropan-2-ol
SMILESCC(O)C(Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15ClO/c1-12(17)15(16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,17H,1H3
InChIKeyICUKDWASLVXTJC-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,1-difluoro-1-phenylpropan-2-ol
CID 23235127
trimethyl(trityl)phosphanium fluoride
CID 18356035
dichloro(phenyl)methanol
CID 25493
2-chloro-3-methyl-2-phenylbutanoic acid;hydrochloride
CID 140979566
1-(methylamino)-1,1-diphenylpropan-2-ol
CID 139632389
2,4-dimethyl-2-phenyl(313C)pentan-3-ol
CID 12036606
(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171
3-amino-2-methyl-2-phenylbutanoic acid
CID 67114284
1-chloro-4,4,4-triphenylbutan-2-ol
CID 174658111
3-amino-4,4-diphenylpentan-2-ol
CID 18533371
tert-butylbenzene;chloromethane;ethane
CID 91149652
2-chloro-2-phenylpropan-1-ol
CID 21408065

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,1-diphenylpropan-2-ol?
The IUPAC name of 1-chloro-1,1-diphenylpropan-2-ol (CID 174806376) is 1-chloro-1,1-diphenylpropan-2-ol.
What is the SMILES notation for 1-chloro-1,1-diphenylpropan-2-ol?
The canonical SMILES for 1-chloro-1,1-diphenylpropan-2-ol is CC(O)C(Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-chloro-1,1-diphenylpropan-2-ol?
The InChIKey is ICUKDWASLVXTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c1-12(17)15(16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,17H,1H3.
What are the key properties of 1-chloro-1,1-diphenylpropan-2-ol?
1-chloro-1,1-diphenylpropan-2-ol has a molecular weight of 246.74 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1-diphenylpropan-2-ol is sourced from PubChem (CID 174806376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).