1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanol

C9H10ClFO2 — CID 84672794

IUPAC1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanol
SMILESCOc1ccc(Cl)c(F)c1C(C)O
InChIInChI=1S/C9H10ClFO2/c1-5(12)8-7(13-2)4-3-6(10)9(8)11/h3-5,12H,1-2H3
InChIKeyKSSILOHRFSLGOZ-UHFFFAOYSA-N
MW204.63 g/mol
LogP2.54
Rot. Bonds2

About 1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanol

1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanol (PubChem CID 84672794) has the molecular formula C9H10ClFO2 and a molecular weight of 204.63 g/mol. Its IUPAC name is 1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanol
PubChem CID84672794
Molecular FormulaC9H10ClFO2
Molecular Weight204.63 g/mol
Exact Mass204.04
IUPAC Name1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanol
SMILESCOc1ccc(Cl)c(F)c1C(C)O
InChIInChI=1S/C9H10ClFO2/c1-5(12)8-7(13-2)4-3-6(10)9(8)11/h3-5,12H,1-2H3
InChIKeyKSSILOHRFSLGOZ-UHFFFAOYSA-N
XLogP2.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.63
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-2-methylanisole
CID 76748
Ethanol, 2-(4-chloro-2-ethylphenoxy)-
CID 3041042
(5-Fluoro-2-methoxyphenyl)methanol
CID 22014996
4 Chloro-2-methoxybenzyl alcohol
CID 3549393
(3R,4R)-3-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 45267246
(3S,4R)-3-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 45270670
3-(4-Chloro-2-methylphenoxy)propane-1,2-diol
CID 20332706
1-(4-Chloro-2-methylphenoxy)propan-2-ol
CID 65278075
2,2,2-Trifluoro-1-(2-methoxyphenyl)ethanol
CID 2829248
Benzenemethanol, 5-chloro-3-ethyl-2-methoxy-
CID 42034
3-(4-Chloro-2-propylphenoxy)propane-1,2-diol
CID 113939
1,2-Propanediol, 3-(2-allyl-4-chlorophenoxy)-
CID 3048389

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanol?
The IUPAC name of 1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanol (CID 84672794) is 1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanol is COc1ccc(Cl)c(F)c1C(C)O.
What is the InChIKey of 1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanol?
The InChIKey is KSSILOHRFSLGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO2/c1-5(12)8-7(13-2)4-3-6(10)9(8)11/h3-5,12H,1-2H3.
What are the key properties of 1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanol?
1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanol has a molecular weight of 204.63 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanol is sourced from PubChem (CID 84672794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).