1-chloro-1-(2,4-dichlorophenyl)-2-(4-phenylphenyl)propan-2-ol

C21H17Cl3O — CID 70595860

IUPAC1-chloro-1-(2,4-dichlorophenyl)-2-(4-phenylphenyl)propan-2-ol
SMILESCC(O)(c1ccc(-c2ccccc2)cc1)C(Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H17Cl3O/c1-21(25,20(24)18-12-11-17(22)13-19(18)23)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,20,25H,1H3
InChIKeyWMWSEWHGGQJHDS-UHFFFAOYSA-N
MW391.73 g/mol
LogP6.85
Rot. Bonds4

About 1-chloro-1-(2,4-dichlorophenyl)-2-(4-phenylphenyl)propan-2-ol

1-chloro-1-(2,4-dichlorophenyl)-2-(4-phenylphenyl)propan-2-ol (PubChem CID 70595860) has the molecular formula C21H17Cl3O and a molecular weight of 391.73 g/mol. Its IUPAC name is 1-chloro-1-(2,4-dichlorophenyl)-2-(4-phenylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-chloro-1-(2,4-dichlorophenyl)-2-(4-phenylphenyl)propan-2-ol
PubChem CID70595860
Molecular FormulaC21H17Cl3O
Molecular Weight391.73 g/mol
Exact Mass390.03
IUPAC Name1-chloro-1-(2,4-dichlorophenyl)-2-(4-phenylphenyl)propan-2-ol
SMILESCC(O)(c1ccc(-c2ccccc2)cc1)C(Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H17Cl3O/c1-21(25,20(24)18-12-11-17(22)13-19(18)23)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,20,25H,1H3
InChIKeyWMWSEWHGGQJHDS-UHFFFAOYSA-N
XLogP6.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.73
LogP ≤ 56.85
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-1-(2,4-dichlorophenyl)-2-(4-phenylphenyl)propan-2-ol?
The IUPAC name of 1-chloro-1-(2,4-dichlorophenyl)-2-(4-phenylphenyl)propan-2-ol (CID 70595860) is 1-chloro-1-(2,4-dichlorophenyl)-2-(4-phenylphenyl)propan-2-ol.
What is the SMILES notation for 1-chloro-1-(2,4-dichlorophenyl)-2-(4-phenylphenyl)propan-2-ol?
The canonical SMILES for 1-chloro-1-(2,4-dichlorophenyl)-2-(4-phenylphenyl)propan-2-ol is CC(O)(c1ccc(-c2ccccc2)cc1)C(Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-chloro-1-(2,4-dichlorophenyl)-2-(4-phenylphenyl)propan-2-ol?
The InChIKey is WMWSEWHGGQJHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3O/c1-21(25,20(24)18-12-11-17(22)13-19(18)23)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,20,25H,1H3.
What are the key properties of 1-chloro-1-(2,4-dichlorophenyl)-2-(4-phenylphenyl)propan-2-ol?
1-chloro-1-(2,4-dichlorophenyl)-2-(4-phenylphenyl)propan-2-ol has a molecular weight of 391.73 g/mol, XLogP of 6.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(2,4-dichlorophenyl)-2-(4-phenylphenyl)propan-2-ol is sourced from PubChem (CID 70595860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).