(1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol

C15H15ClO2 — CID 71352218

IUPAC(1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol
SMILESOCC[C@@](O)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClO2/c16-14-8-6-13(7-9-14)15(18,10-11-17)12-4-2-1-3-5-12/h1-9,17-18H,10-11H2/t15-/m1/s1
InChIKeyLHAKKIKCJWGBMA-OAHLLOKOSA-N
MW262.74 g/mol
LogP2.96
Rot. Bonds4

About (1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol

(1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol (PubChem CID 71352218) has the molecular formula C15H15ClO2 and a molecular weight of 262.74 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol
PubChem CID71352218
Molecular FormulaC15H15ClO2
Molecular Weight262.74 g/mol
Exact Mass262.08
IUPAC Name(1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol
SMILESOCC[C@@](O)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClO2/c16-14-8-6-13(7-9-14)15(18,10-11-17)12-4-2-1-3-5-12/h1-9,17-18H,10-11H2/t15-/m1/s1
InChIKeyLHAKKIKCJWGBMA-OAHLLOKOSA-N
XLogP2.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 4072683
3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-chlorophenyl)-1-phenylpropan-1-ol
CID 70515941
1-chloro-4-tritylbenzene
CID 14737307
1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene
CID 57254584
2-(4-chlorophenyl)sulfonyl-1,1-diphenylethanol
CID 1480392
3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 116696177
1-chloro-4-[dichloro(phenyl)methyl]benzene
CID 11000180
2-(4-chlorophenyl)pentan-2-ol
CID 23555553
3-tritylpentane-1,3,5-triol
CID 139808221
3-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-1,1-diphenylpropan-1-ol
CID 23441029
1,1-bis(4-chlorophenyl)-4-(dimethylamino)butan-1-ol
CID 52946911
3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol
CID 116696329

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol?
The IUPAC name of (1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol (CID 71352218) is (1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol is OCC[C@@](O)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol?
The InChIKey is LHAKKIKCJWGBMA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H15ClO2/c16-14-8-6-13(7-9-14)15(18,10-11-17)12-4-2-1-3-5-12/h1-9,17-18H,10-11H2/t15-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol?
(1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol has a molecular weight of 262.74 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol is sourced from PubChem (CID 71352218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).