1-(2,4-difluoro-3-methylphenyl)ethanol

C9H10F2O — CID 84654323

IUPAC1-(2,4-difluoro-3-methylphenyl)ethanol
SMILESCc1c(F)ccc(C(C)O)c1F
InChIInChI=1S/C9H10F2O/c1-5-8(10)4-3-7(6(2)12)9(5)11/h3-4,6,12H,1-2H3
InChIKeyBJLSDFVKNJLHNN-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.33
Rot. Bonds1

About 1-(2,4-difluoro-3-methylphenyl)ethanol

1-(2,4-difluoro-3-methylphenyl)ethanol (PubChem CID 84654323) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is 1-(2,4-difluoro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,4-difluoro-3-methylphenyl)ethanol
PubChem CID84654323
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name1-(2,4-difluoro-3-methylphenyl)ethanol
SMILESCc1c(F)ccc(C(C)O)c1F
InChIInChI=1S/C9H10F2O/c1-5-8(10)4-3-7(6(2)12)9(5)11/h3-4,6,12H,1-2H3
InChIKeyBJLSDFVKNJLHNN-UHFFFAOYSA-N
XLogP2.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluoro-3-methylphenyl)ethanol
CID 130090893
1-(2,4-difluoro-3-methylphenyl)ethanethiol
CID 155399048
1-[2,4-difluoro-3-(methoxymethyl)phenyl]ethanol
CID 117290657
2-fluoro-6-(1-hydroxyethyl)-3-methylphenol
CID 117276805
1-(4-chloro-2,3-difluorophenyl)ethanol
CID 164892643
6-[(1R)-1-aminoethyl]-3-fluoro-2-methylphenol
CID 55274097
1-(2,3,4-trimethylphenyl)ethanol
CID 130125335
2-fluoro-4-(1-hydroxyethyl)benzene-1,3-diol
CID 117276916
2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131032215
(1S)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712910
1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethanol
CID 117373186
(1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol
CID 130658777

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-3-methylphenyl)ethanol?
The IUPAC name of 1-(2,4-difluoro-3-methylphenyl)ethanol (CID 84654323) is 1-(2,4-difluoro-3-methylphenyl)ethanol.
What is the SMILES notation for 1-(2,4-difluoro-3-methylphenyl)ethanol?
The canonical SMILES for 1-(2,4-difluoro-3-methylphenyl)ethanol is Cc1c(F)ccc(C(C)O)c1F.
What is the InChIKey of 1-(2,4-difluoro-3-methylphenyl)ethanol?
The InChIKey is BJLSDFVKNJLHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O/c1-5-8(10)4-3-7(6(2)12)9(5)11/h3-4,6,12H,1-2H3.
What are the key properties of 1-(2,4-difluoro-3-methylphenyl)ethanol?
1-(2,4-difluoro-3-methylphenyl)ethanol has a molecular weight of 172.17 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-3-methylphenyl)ethanol is sourced from PubChem (CID 84654323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).