1-(2-fluoro-3,5-dimethylphenyl)ethanol

C10H13FO — CID 83988897

IUPAC1-(2-fluoro-3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)c(F)c(C(C)O)c1
InChIInChI=1S/C10H13FO/c1-6-4-7(2)10(11)9(5-6)8(3)12/h4-5,8,12H,1-3H3
InChIKeySIWIWBXAPINGHS-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.50
Rot. Bonds1

About 1-(2-fluoro-3,5-dimethylphenyl)ethanol

1-(2-fluoro-3,5-dimethylphenyl)ethanol (PubChem CID 83988897) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 1-(2-fluoro-3,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-fluoro-3,5-dimethylphenyl)ethanol
PubChem CID83988897
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name1-(2-fluoro-3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)c(F)c(C(C)O)c1
InChIInChI=1S/C10H13FO/c1-6-4-7(2)10(11)9(5-6)8(3)12/h4-5,8,12H,1-3H3
InChIKeySIWIWBXAPINGHS-UHFFFAOYSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-3-(1-hydroxyethyl)-5-methylphenol
CID 117276803
1-(5-ethoxy-2-fluoro-3-methylphenyl)ethanol
CID 164891517
methyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate
CID 117302719
2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol
CID 117293030
2-fluoro-1,5-dimethyl-3-methylsulfanylbenzene
CID 130850117
(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 82759306
2-fluoro-6-(1-hydroxyethyl)-3-methylphenol
CID 117276805
1-(3-chloro-2,4,5-trifluorophenyl)ethanol
CID 117113843
1-(3-bromo-2,5-difluorophenyl)ethanol
CID 14621022
4-fluoro-5-(1-hydroxyethyl)-2-methylphenol
CID 117276801
3-cyclopropyl-3-(2-fluoro-3,5-dimethylphenyl)propanoic acid
CID 117344917
3-(1-aminoethyl)-2-fluoro-5-methylphenol
CID 117276714

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3,5-dimethylphenyl)ethanol?
The IUPAC name of 1-(2-fluoro-3,5-dimethylphenyl)ethanol (CID 83988897) is 1-(2-fluoro-3,5-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(2-fluoro-3,5-dimethylphenyl)ethanol?
The canonical SMILES for 1-(2-fluoro-3,5-dimethylphenyl)ethanol is Cc1cc(C)c(F)c(C(C)O)c1.
What is the InChIKey of 1-(2-fluoro-3,5-dimethylphenyl)ethanol?
The InChIKey is SIWIWBXAPINGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c1-6-4-7(2)10(11)9(5-6)8(3)12/h4-5,8,12H,1-3H3.
What are the key properties of 1-(2-fluoro-3,5-dimethylphenyl)ethanol?
1-(2-fluoro-3,5-dimethylphenyl)ethanol has a molecular weight of 168.21 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3,5-dimethylphenyl)ethanol is sourced from PubChem (CID 83988897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).