(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol

C9H10F2O — CID 82759306

IUPAC(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
SMILESCc1cc([C@H](C)O)c(F)cc1F
InChIInChI=1S/C9H10F2O/c1-5-3-7(6(2)12)9(11)4-8(5)10/h3-4,6,12H,1-2H3/t6-/m0/s1
InChIKeyZGYKVNYNPOGKTQ-LURJTMIESA-N
MW172.17 g/mol
LogP2.33
Rot. Bonds1

About (1S)-1-(2,4-difluoro-5-methylphenyl)ethanol

(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol (PubChem CID 82759306) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is (1S)-1-(2,4-difluoro-5-methylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
PubChem CID82759306
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
SMILESCc1cc([C@H](C)O)c(F)cc1F
InChIInChI=1S/C9H10F2O/c1-5-3-7(6(2)12)9(11)4-8(5)10/h3-4,6,12H,1-2H3/t6-/m0/s1
InChIKeyZGYKVNYNPOGKTQ-LURJTMIESA-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

4-fluoro-5-(1-hydroxyethyl)-2-methylphenol
CID 117276801
1-(2-fluoro-4-methoxy-5-methylphenyl)ethanol
CID 84659572
(1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 82759417
1-(2,4-difluoro-5-methylphenyl)-2,2-dimethylpropan-1-ol
CID 79730583
1-(5-chloro-2,4-difluorophenyl)ethanol
CID 117283331
1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol
CID 115788963
(2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol
CID 79731098
1-(2,4-difluoro-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79724270
1-(2,4-difluoro-5-methylphenyl)-2-phenylethanol
CID 79731266
1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781937
1-(2,4-difluoro-5-methylphenyl)-3-methylbutan-1-amine
CID 79724390
1-(4-bromopentan-2-yl)-2,4-difluoro-5-methylbenzene
CID 130816961

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-difluoro-5-methylphenyl)ethanol?
The IUPAC name of (1S)-1-(2,4-difluoro-5-methylphenyl)ethanol (CID 82759306) is (1S)-1-(2,4-difluoro-5-methylphenyl)ethanol.
What is the SMILES notation for (1S)-1-(2,4-difluoro-5-methylphenyl)ethanol?
The canonical SMILES for (1S)-1-(2,4-difluoro-5-methylphenyl)ethanol is Cc1cc([C@H](C)O)c(F)cc1F.
What is the InChIKey of (1S)-1-(2,4-difluoro-5-methylphenyl)ethanol?
The InChIKey is ZGYKVNYNPOGKTQ-LURJTMIESA-N. The full InChI is InChI=1S/C9H10F2O/c1-5-3-7(6(2)12)9(11)4-8(5)10/h3-4,6,12H,1-2H3/t6-/m0/s1.
What are the key properties of (1S)-1-(2,4-difluoro-5-methylphenyl)ethanol?
(1S)-1-(2,4-difluoro-5-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 (1S)-1-(2,4-difluoro-5-methylphenyl)ethanol is sourced from PubChem (CID 82759306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).