3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol

C15H13Cl3O — CID 116696329

IUPAC3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol
SMILESOC(CCCl)(c1ccccc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl3O/c16-9-8-15(19,11-4-2-1-3-5-11)13-10-12(17)6-7-14(13)18/h1-7,10,19H,8-9H2
InChIKeyDCNILUZTIFLGAC-UHFFFAOYSA-N
MW315.63 g/mol
LogP4.86
Rot. Bonds4

About 3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol

3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol (PubChem CID 116696329) has the molecular formula C15H13Cl3O and a molecular weight of 315.63 g/mol. Its IUPAC name is 3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol
PubChem CID116696329
Molecular FormulaC15H13Cl3O
Molecular Weight315.63 g/mol
Exact Mass314.00
IUPAC Name3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol
SMILESOC(CCCl)(c1ccccc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl3O/c16-9-8-15(19,11-4-2-1-3-5-11)13-10-12(17)6-7-14(13)18/h1-7,10,19H,8-9H2
InChIKeyDCNILUZTIFLGAC-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.63
LogP ≤ 54.86
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-(2,5-dichlorophenyl)-1-phenylethanol
CID 62786924
3-chloro-1-naphthalen-1-yl-1-phenylpropan-1-ol
CID 116696421
4-chloro-2-(1-hydroxy-1-phenylpropyl)phenol
CID 13076854
3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 116696177
(1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol
CID 71352218
1-(4-amino-3-pyridinyl)-3-chloro-1-phenylpropan-1-ol
CID 116696246
1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol
CID 24834788
3-chloro-1-(3-fluoro-5-methylphenyl)-1-phenylpropan-1-ol
CID 116696426
3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol
CID 116696320
(1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 73415977
1-amino-3-chloro-1-phenylpropan-1-ol
CID 175404294
4-chloro-2-(1-hydroxy-1-phenylethyl)phenol
CID 12812396

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol?
The IUPAC name of 3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol (CID 116696329) is 3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol?
The canonical SMILES for 3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol is OC(CCCl)(c1ccccc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol?
The InChIKey is DCNILUZTIFLGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3O/c16-9-8-15(19,11-4-2-1-3-5-11)13-10-12(17)6-7-14(13)18/h1-7,10,19H,8-9H2.
What are the key properties of 3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol?
3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol has a molecular weight of 315.63 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol is sourced from PubChem (CID 116696329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).