1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol

C16H15ClF2O — CID 115828495

IUPAC1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol
SMILESCc1cccc(C)c1CC(O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C16H15ClF2O/c1-9-4-3-5-10(2)11(9)7-16(20)12-6-15(19)13(17)8-14(12)18/h3-6,8,16,20H,7H2,1-2H3
InChIKeyKBERSAVOXNRUPC-UHFFFAOYSA-N
MW296.74 g/mol
LogP4.51
Rot. Bonds3

About 1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol

1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol (PubChem CID 115828495) has the molecular formula C16H15ClF2O and a molecular weight of 296.74 g/mol. Its IUPAC name is 1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol
PubChem CID115828495
Molecular FormulaC16H15ClF2O
Molecular Weight296.74 g/mol
Exact Mass296.08
IUPAC Name1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol
SMILESCc1cccc(C)c1CC(O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C16H15ClF2O/c1-9-4-3-5-10(2)11(9)7-16(20)12-6-15(19)13(17)8-14(12)18/h3-6,8,16,20H,7H2,1-2H3
InChIKeyKBERSAVOXNRUPC-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377673
1-(4-chloro-2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 115832813
1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol
CID 106859457
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 81478146
1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655781
2-(2-bromo-4-fluorophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanol
CID 115786975
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 82891487
1-(4-chloro-2,5-difluorophenyl)butan-1-ol
CID 115780952
2-(4-chloro-3-fluorophenyl)-1-(2-methylphenyl)ethanol
CID 114012545
1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol
CID 115791241
1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 115786109
2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62388239

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol?
The IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol (CID 115828495) is 1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol?
The canonical SMILES for 1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol is Cc1cccc(C)c1CC(O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol?
The InChIKey is KBERSAVOXNRUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2O/c1-9-4-3-5-10(2)11(9)7-16(20)12-6-15(19)13(17)8-14(12)18/h3-6,8,16,20H,7H2,1-2H3.
What are the key properties of 1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol?
1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol has a molecular weight of 296.74 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol is sourced from PubChem (CID 115828495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).