1-(3-chloro-2-fluoro-5,6-dimethylphenyl)ethanol

C10H12ClFO — CID 117291204

IUPAC1-(3-chloro-2-fluoro-5,6-dimethylphenyl)ethanol
SMILESCc1cc(Cl)c(F)c(C(C)O)c1C
InChIInChI=1S/C10H12ClFO/c1-5-4-8(11)10(12)9(6(5)2)7(3)13/h4,7,13H,1-3H3
InChIKeyYMEJLYOKKNGMEU-UHFFFAOYSA-N
MW202.66 g/mol
LogP3.15
Rot. Bonds1

About 1-(3-chloro-2-fluoro-5,6-dimethylphenyl)ethanol

1-(3-chloro-2-fluoro-5,6-dimethylphenyl)ethanol (PubChem CID 117291204) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is 1-(3-chloro-2-fluoro-5,6-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-2-fluoro-5,6-dimethylphenyl)ethanol
PubChem CID117291204
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name1-(3-chloro-2-fluoro-5,6-dimethylphenyl)ethanol
SMILESCc1cc(Cl)c(F)c(C(C)O)c1C
InChIInChI=1S/C10H12ClFO/c1-5-4-8(11)10(12)9(6(5)2)7(3)13/h4,7,13H,1-3H3
InChIKeyYMEJLYOKKNGMEU-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-fluoro-5,6-dimethylphenyl)ethanol
CID 117369438
1-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethanol
CID 84671170
1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol
CID 117335550
4-amino-4-(3-chloro-2-fluoro-5,6-dimethylphenyl)butanoic acid
CID 117403414
1-(3-chloro-2,6-difluoro-5-methylphenyl)propan-2-ol
CID 117315026
(1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
CID 106880220
1-(2-chloro-4,6-difluorophenyl)ethanol
CID 178189080
2-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-2-ol
CID 117308731
3-(3-chloro-2,6-difluoro-5-methylphenyl)butan-1-amine
CID 117339667
4-chloro-2-(1-hydroxyethyl)-3,5-dimethylphenol
CID 82265408
(1S)-1-(2,6-dichloro-3-methylphenyl)ethanol
CID 143190021
1-[1-(3-chloro-2-fluoro-5,6-dimethylphenyl)cyclopropyl]ethanamine
CID 117356652

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluoro-5,6-dimethylphenyl)ethanol?
The IUPAC name of 1-(3-chloro-2-fluoro-5,6-dimethylphenyl)ethanol (CID 117291204) is 1-(3-chloro-2-fluoro-5,6-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-2-fluoro-5,6-dimethylphenyl)ethanol?
The canonical SMILES for 1-(3-chloro-2-fluoro-5,6-dimethylphenyl)ethanol is Cc1cc(Cl)c(F)c(C(C)O)c1C.
What is the InChIKey of 1-(3-chloro-2-fluoro-5,6-dimethylphenyl)ethanol?
The InChIKey is YMEJLYOKKNGMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO/c1-5-4-8(11)10(12)9(6(5)2)7(3)13/h4,7,13H,1-3H3.
What are the key properties of 1-(3-chloro-2-fluoro-5,6-dimethylphenyl)ethanol?
1-(3-chloro-2-fluoro-5,6-dimethylphenyl)ethanol has a molecular weight of 202.66 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluoro-5,6-dimethylphenyl)ethanol is sourced from PubChem (CID 117291204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).