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

C15H13Cl2FO — CID 103041999

IUPAC3-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
SMILESOCC(Cc1ccc(F)c(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H13Cl2FO/c16-13-3-1-2-11(8-13)12(9-19)6-10-4-5-15(18)14(17)7-10/h1-5,7-8,12,19H,6,9H2
InChIKeyLRRJCSCBVJFNDQ-UHFFFAOYSA-N
MW299.17 g/mol
LogP4.45
Rot. Bonds4

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

3-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol (PubChem CID 103041999) has the molecular formula C15H13Cl2FO and a molecular weight of 299.17 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
PubChem CID103041999
Molecular FormulaC15H13Cl2FO
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name3-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
SMILESOCC(Cc1ccc(F)c(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H13Cl2FO/c16-13-3-1-2-11(8-13)12(9-19)6-10-4-5-15(18)14(17)7-10/h1-5,7-8,12,19H,6,9H2
InChIKeyLRRJCSCBVJFNDQ-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 103041993
2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene
CID 103042092
3-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 79443459
2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol
CID 79443229
2-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)propan-1-ol
CID 103041980
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038952
2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 103041983
2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
CID 81144923
2-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-ethylpropan-1-amine
CID 103041147
1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
CID 103039559
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol (CID 103041999) is 3-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol is OCC(Cc1ccc(F)c(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol?
The InChIKey is LRRJCSCBVJFNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FO/c16-13-3-1-2-11(8-13)12(9-19)6-10-4-5-15(18)14(17)7-10/h1-5,7-8,12,19H,6,9H2.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol?
3-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol has a molecular weight of 299.17 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol is sourced from PubChem (CID 103041999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).