2-(5-chloro-2-fluoro-4-methylphenyl)ethanol

C9H10ClFO — CID 117281244

IUPAC2-(5-chloro-2-fluoro-4-methylphenyl)ethanol
SMILESCc1cc(F)c(CCO)cc1Cl
InChIInChI=1S/C9H10ClFO/c1-6-4-9(11)7(2-3-12)5-8(6)10/h4-5,12H,2-3H2,1H3
InChIKeyOULDVOYQMWEVRS-UHFFFAOYSA-N
MW188.63 g/mol
LogP2.32
Rot. Bonds2

About 2-(5-chloro-2-fluoro-4-methylphenyl)ethanol

2-(5-chloro-2-fluoro-4-methylphenyl)ethanol (PubChem CID 117281244) has the molecular formula C9H10ClFO and a molecular weight of 188.63 g/mol. Its IUPAC name is 2-(5-chloro-2-fluoro-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-fluoro-4-methylphenyl)ethanol
PubChem CID117281244
Molecular FormulaC9H10ClFO
Molecular Weight188.63 g/mol
Exact Mass188.04
IUPAC Name2-(5-chloro-2-fluoro-4-methylphenyl)ethanol
SMILESCc1cc(F)c(CCO)cc1Cl
InChIInChI=1S/C9H10ClFO/c1-6-4-9(11)7(2-3-12)5-8(6)10/h4-5,12H,2-3H2,1H3
InChIKeyOULDVOYQMWEVRS-UHFFFAOYSA-N
XLogP2.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-Chlorophenyl)-propan-1-ol
CID 221970
Benzeneethanol, 2-chloro-alpha,alpha-dimethyl-
CID 80403
m-Chlorophenethylic alcohol
CID 78856
o-Chlorophenethylic alcohol
CID 88266
2-(2,6-Dichlorophenyl)ethanol
CID 2734100
1-[2-Chloro-4-(trifluoromethyl)phenyl]ethan-1-ol
CID 84689375
2-(2,3-Dichlorophenyl)ethan-1-ol
CID 2734759
2-(2,5-Dichlorophenyl)ethan-1-ol
CID 13480204
3-Chloro-4-methylbenzyl alcohol
CID 123486
3-(3-Chlorophenyl)propan-1-ol
CID 9989667
2-(2-Chloro-6-fluorophenyl)ethanol
CID 2733235
3-Chloro-4-fluorophenethyl alcohol
CID 2757559

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluoro-4-methylphenyl)ethanol?
The IUPAC name of 2-(5-chloro-2-fluoro-4-methylphenyl)ethanol (CID 117281244) is 2-(5-chloro-2-fluoro-4-methylphenyl)ethanol.
What is the SMILES notation for 2-(5-chloro-2-fluoro-4-methylphenyl)ethanol?
The canonical SMILES for 2-(5-chloro-2-fluoro-4-methylphenyl)ethanol is Cc1cc(F)c(CCO)cc1Cl.
What is the InChIKey of 2-(5-chloro-2-fluoro-4-methylphenyl)ethanol?
The InChIKey is OULDVOYQMWEVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO/c1-6-4-9(11)7(2-3-12)5-8(6)10/h4-5,12H,2-3H2,1H3.
What are the key properties of 2-(5-chloro-2-fluoro-4-methylphenyl)ethanol?
2-(5-chloro-2-fluoro-4-methylphenyl)ethanol has a molecular weight of 188.63 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluoro-4-methylphenyl)ethanol is sourced from PubChem (CID 117281244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).