2-(2-chloro-3-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol

C17H18ClFO2 — CID 115983362

IUPAC2-(2-chloro-3-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(O)Cc2cccc(F)c2Cl)cc1
InChIInChI=1S/C17H18ClFO2/c1-11(2)21-14-8-6-12(7-9-14)16(20)10-13-4-3-5-15(19)17(13)18/h3-9,11,16,20H,10H2,1-2H3
InChIKeyHKWZZLHZBKPAHU-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.54
Rot. Bonds5

About 2-(2-chloro-3-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol

2-(2-chloro-3-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol (PubChem CID 115983362) has the molecular formula C17H18ClFO2 and a molecular weight of 308.78 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
PubChem CID115983362
Molecular FormulaC17H18ClFO2
Molecular Weight308.78 g/mol
Exact Mass308.10
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(O)Cc2cccc(F)c2Cl)cc1
InChIInChI=1S/C17H18ClFO2/c1-11(2)21-14-8-6-12(7-9-14)16(20)10-13-4-3-5-15(19)17(13)18/h3-9,11,16,20H,10H2,1-2H3
InChIKeyHKWZZLHZBKPAHU-UHFFFAOYSA-N
XLogP4.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(4-chlorophenyl)ethanol
CID 112652994
2-(2,4-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 63410917
1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653147
2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol
CID 115831204
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 112653011
2-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 61087614
1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115983371
1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol
CID 112653497
2-(2-fluorophenyl)-1-(4-methoxyphenyl)ethanol
CID 15650401
1-(3-bromo-5-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831119
2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 115983386
1-(2-chloro-3-fluorophenyl)-5-methoxypentan-2-ol
CID 112653463

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol (CID 115983362) is 2-(2-chloro-3-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol is CC(C)Oc1ccc(C(O)Cc2cccc(F)c2Cl)cc1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol?
The InChIKey is HKWZZLHZBKPAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO2/c1-11(2)21-14-8-6-12(7-9-14)16(20)10-13-4-3-5-15(19)17(13)18/h3-9,11,16,20H,10H2,1-2H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol?
2-(2-chloro-3-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol has a molecular weight of 308.78 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 115983362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).