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

C16H15Cl2FO — CID 103041980

IUPAC2-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)propan-1-ol
SMILESOCC(Cc1ccc(Cl)cc1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H15Cl2FO/c17-14-4-1-11(2-5-14)7-13(10-20)8-12-3-6-16(19)15(18)9-12/h1-6,9,13,20H,7-8,10H2
InChIKeyCRQJYIAIZJIPPZ-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.53
Rot. Bonds5

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

2-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)propan-1-ol (PubChem CID 103041980) has the molecular formula C16H15Cl2FO and a molecular weight of 313.20 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)propan-1-ol
PubChem CID103041980
Molecular FormulaC16H15Cl2FO
Molecular Weight313.20 g/mol
Exact Mass312.05
IUPAC Name2-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)propan-1-ol
SMILESOCC(Cc1ccc(Cl)cc1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H15Cl2FO/c17-14-4-1-11(2-5-14)7-13(10-20)8-12-3-6-16(19)15(18)9-12/h1-6,9,13,20H,7-8,10H2
InChIKeyCRQJYIAIZJIPPZ-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol
CID 103041973
2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 103041983
2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)propan-1-ol
CID 66059249
2-[(4-chlorophenyl)methyl]butan-1-ol
CID 50898989
2-[(5-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-ol
CID 103051196
3-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 103041999
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
2-[(4-chloro-3-fluorophenyl)methyl]pentan-1-ol
CID 107894917
2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol
CID 75355893
1-(3-chloro-4-fluorophenyl)-4-methylpentan-2-ol
CID 103039007
2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760
2-(3-chloro-4-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 103038949

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)propan-1-ol?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)propan-1-ol (CID 103041980) is 2-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)propan-1-ol.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)propan-1-ol?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)propan-1-ol is OCC(Cc1ccc(Cl)cc1)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)propan-1-ol?
The InChIKey is CRQJYIAIZJIPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FO/c17-14-4-1-11(2-5-14)7-13(10-20)8-12-3-6-16(19)15(18)9-12/h1-6,9,13,20H,7-8,10H2.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)propan-1-ol?
2-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)propan-1-ol has a molecular weight of 313.20 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)propan-1-ol is sourced from PubChem (CID 103041980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).