1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol

C16H16ClFO — CID 115484522

IUPAC1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol
SMILESCc1cc(Cl)c(C(O)Cc2cccc(F)c2)cc1C
InChIInChI=1S/C16H16ClFO/c1-10-6-14(15(17)7-11(10)2)16(19)9-12-4-3-5-13(18)8-12/h3-8,16,19H,9H2,1-2H3
InChIKeyDEHCPYREYZPGIC-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.37
Rot. Bonds3

About 1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol

1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol (PubChem CID 115484522) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol
PubChem CID115484522
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol
SMILESCc1cc(Cl)c(C(O)Cc2cccc(F)c2)cc1C
InChIInChI=1S/C16H16ClFO/c1-10-6-14(15(17)7-11(10)2)16(19)9-12-4-3-5-13(18)8-12/h3-8,16,19H,9H2,1-2H3
InChIKeyDEHCPYREYZPGIC-UHFFFAOYSA-N
XLogP4.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol
CID 107477080
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol
CID 115484531
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115484564
2-(3-chlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62387586
2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol
CID 103303315
1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)ethanol
CID 105394441
2-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-methylbenzene
CID 82890576
1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 60798270
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607682
1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 107103532
1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 81307399
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 107883556

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol?
The IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol (CID 115484522) is 1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol is Cc1cc(Cl)c(C(O)Cc2cccc(F)c2)cc1C.
What is the InChIKey of 1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol?
The InChIKey is DEHCPYREYZPGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-10-6-14(15(17)7-11(10)2)16(19)9-12-4-3-5-13(18)8-12/h3-8,16,19H,9H2,1-2H3.
What are the key properties of 1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol?
1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol has a molecular weight of 278.75 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol is sourced from PubChem (CID 115484522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).