2-chloro-3,3-diphenylpropan-1-ol

C15H15ClO — CID 57151850

IUPAC2-chloro-3,3-diphenylpropan-1-ol
SMILESOCC(Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15ClO/c16-14(11-17)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15,17H,11H2
InChIKeyXXLSZXDZXOHKRJ-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.42
Rot. Bonds4

About 2-chloro-3,3-diphenylpropan-1-ol

2-chloro-3,3-diphenylpropan-1-ol (PubChem CID 57151850) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-chloro-3,3-diphenylpropan-1-ol.

Molecular Properties

Compound Name2-chloro-3,3-diphenylpropan-1-ol
PubChem CID57151850
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name2-chloro-3,3-diphenylpropan-1-ol
SMILESOCC(Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15ClO/c16-14(11-17)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15,17H,11H2
InChIKeyXXLSZXDZXOHKRJ-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.42
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

[(1R)-2-hydroxy-1-phenylethyl]azanium
CID 6950536
(2S,5S)-2,5-diphenylhexane-1,6-diol
CID 102169365
(3-hydroxy-1,1-diphenylpropan-2-yl) methanesulfonate
CID 134282031
3,3-diphenyl-2-(propan-2-ylamino)propan-1-ol
CID 107292892
dichloromethylbenzene
CID 7411
(1S)-1,2,2-triphenylethanol
CID 38988933
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
(3-hydroxy-2-phenylpropyl)-λ2-stannane
CID 173264317
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol
CID 82090652
(2S)-2-amino-4-methyl-5,5-diphenylpentan-1-ol
CID 173412577
(2R)-2-amino-4-methyl-5,5-diphenylpentan-1-ol
CID 173345739

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,3-diphenylpropan-1-ol?
The IUPAC name of 2-chloro-3,3-diphenylpropan-1-ol (CID 57151850) is 2-chloro-3,3-diphenylpropan-1-ol.
What is the SMILES notation for 2-chloro-3,3-diphenylpropan-1-ol?
The canonical SMILES for 2-chloro-3,3-diphenylpropan-1-ol is OCC(Cl)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-chloro-3,3-diphenylpropan-1-ol?
The InChIKey is XXLSZXDZXOHKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c16-14(11-17)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15,17H,11H2.
What are the key properties of 2-chloro-3,3-diphenylpropan-1-ol?
2-chloro-3,3-diphenylpropan-1-ol has a molecular weight of 246.74 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,3-diphenylpropan-1-ol is sourced from PubChem (CID 57151850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).