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

C10H12ClFO — CID 84671170

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

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

1-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethanol (PubChem CID 84671170) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is 1-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethanol
PubChem CID84671170
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name1-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethanol
SMILESCc1cc(F)c(Cl)c(C(C)O)c1C
InChIInChI=1S/C10H12ClFO/c1-5-4-8(12)10(11)9(6(5)2)7(3)13/h4,7,13H,1-3H3
InChIKeyDYUJBIXNVSGRMG-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-chloro-2-fluoro-5,6-dimethylphenyl)ethanol
CID 117291204
(1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
CID 106880220
1-(3-bromo-2-fluoro-5,6-dimethylphenyl)ethanol
CID 117369438
4-amino-4-(2-chloro-3-fluoro-5,6-dimethylphenyl)butanoic acid
CID 117403420
2,4-dichloro-1,5-difluoro-3-propan-2-ylbenzene
CID 155380165
4-chloro-2-(1-hydroxyethyl)-3,5-dimethylphenol
CID 82265408
1-(2-chloro-4,6-difluorophenyl)ethanol
CID 178189080
1-(2-chloro-4-fluoro-3-methylphenyl)ethanol
CID 130090893
(1S)-1-(2,6-dichloro-3-methylphenyl)ethanol
CID 143190021
1-(3-bromo-4-chloro-5-fluorophenyl)ethanol
CID 117386869
4-bromo-6-fluoro-2-(1-hydroxyethyl)-3-methylphenol
CID 84706862
2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol
CID 117293030

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethanol?
The IUPAC name of 1-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethanol (CID 84671170) is 1-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethanol?
The canonical SMILES for 1-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethanol is Cc1cc(F)c(Cl)c(C(C)O)c1C.
What is the InChIKey of 1-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethanol?
The InChIKey is DYUJBIXNVSGRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO/c1-5-4-8(12)10(11)9(6(5)2)7(3)13/h4,7,13H,1-3H3.
What are the key properties of 1-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethanol?
1-(2-chloro-3-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-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethanol is sourced from PubChem (CID 84671170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).