1-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)propan-2-ol

C15H13Cl3O — CID 15055162

IUPAC1-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)propan-2-ol
SMILESOC(CCl)(Cc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl3O/c16-10-15(19,12-5-7-13(17)8-6-12)9-11-3-1-2-4-14(11)18/h1-8,19H,9-10H2
InChIKeyHTFHWOILJOYNGK-UHFFFAOYSA-N
MW315.63 g/mol
LogP4.66
Rot. Bonds4

About 1-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)propan-2-ol

1-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)propan-2-ol (PubChem CID 15055162) has the molecular formula C15H13Cl3O and a molecular weight of 315.63 g/mol. Its IUPAC name is 1-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)propan-2-ol
PubChem CID15055162
Molecular FormulaC15H13Cl3O
Molecular Weight315.63 g/mol
Exact Mass314.00
IUPAC Name1-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)propan-2-ol
SMILESOC(CCl)(Cc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl3O/c16-10-15(19,12-5-7-13(17)8-6-12)9-11-3-1-2-4-14(11)18/h1-8,19H,9-10H2
InChIKeyHTFHWOILJOYNGK-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)propan-2-ol?
The IUPAC name of 1-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)propan-2-ol (CID 15055162) is 1-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)propan-2-ol?
The canonical SMILES for 1-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)propan-2-ol is OC(CCl)(Cc1ccccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)propan-2-ol?
The InChIKey is HTFHWOILJOYNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3O/c16-10-15(19,12-5-7-13(17)8-6-12)9-11-3-1-2-4-14(11)18/h1-8,19H,9-10H2.
What are the key properties of 1-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)propan-2-ol?
1-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)propan-2-ol has a molecular weight of 315.63 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)propan-2-ol is sourced from PubChem (CID 15055162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).