1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol

C17H18ClFO — CID 115983563

IUPAC1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2cccc(F)c2Cl)cc1C
InChIInChI=1S/C17H18ClFO/c1-11-6-7-13(8-12(11)2)9-15(20)10-14-4-3-5-16(19)17(14)18/h3-8,15,20H,9-10H2,1-2H3
InChIKeyDGFBJWOPFBLKHG-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.24
Rot. Bonds4

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

1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol (PubChem CID 115983563) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol
PubChem CID115983563
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2cccc(F)c2Cl)cc1C
InChIInChI=1S/C17H18ClFO/c1-11-6-7-13(8-12(11)2)9-15(20)10-14-4-3-5-16(19)17(14)18/h3-8,15,20H,9-10H2,1-2H3
InChIKeyDGFBJWOPFBLKHG-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.78
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine
CID 105215085
1-(2-chloro-3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-ol
CID 115983556
1-(2,5-dichlorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 65321613
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-ol
CID 112653439
2-(2-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 115831225
1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 106867310
1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-ol
CID 103039694
1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112653165
2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol
CID 115831204
1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920732
2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 115983386
2-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,3-difluorobenzene
CID 55225008

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol (CID 115983563) is 1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol is Cc1ccc(CC(O)Cc2cccc(F)c2Cl)cc1C.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol?
The InChIKey is DGFBJWOPFBLKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c1-11-6-7-13(8-12(11)2)9-15(20)10-14-4-3-5-16(19)17(14)18/h3-8,15,20H,9-10H2,1-2H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol?
1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol has a molecular weight of 292.78 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 115983563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).