1-(3,6-difluoro-2-methoxyphenyl)ethanol

C9H10F2O2 — CID 84661307

IUPAC1-(3,6-difluoro-2-methoxyphenyl)ethanol
SMILESCOc1c(F)ccc(F)c1C(C)O
InChIInChI=1S/C9H10F2O2/c1-5(12)8-6(10)3-4-7(11)9(8)13-2/h3-5,12H,1-2H3
InChIKeyRLWJQPCOMFBWEN-UHFFFAOYSA-N
MW188.17 g/mol
LogP2.03
Rot. Bonds2

About 1-(3,6-difluoro-2-methoxyphenyl)ethanol

1-(3,6-difluoro-2-methoxyphenyl)ethanol (PubChem CID 84661307) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 1-(3,6-difluoro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3,6-difluoro-2-methoxyphenyl)ethanol
PubChem CID84661307
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name1-(3,6-difluoro-2-methoxyphenyl)ethanol
SMILESCOc1c(F)ccc(F)c1C(C)O
InChIInChI=1S/C9H10F2O2/c1-5(12)8-6(10)3-4-7(11)9(8)13-2/h3-5,12H,1-2H3
InChIKeyRLWJQPCOMFBWEN-UHFFFAOYSA-N
XLogP2.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol
CID 84706864
2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290019
3-(3,6-difluoro-2-methoxyphenyl)butanal
CID 117305266
ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117367210
1-(2,3-difluoro-6-methoxyphenyl)ethanol
CID 58022414
1-(2,6-difluorophenyl)ethanol
CID 5012075
2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid
CID 117328468
1-(2-methoxy-3,6-dimethylphenyl)ethanol
CID 117278453
1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol
CID 84714942
3-(3-fluoro-2,6-dimethoxyphenyl)butan-1-amine
CID 117327116
3-bromo-5-fluoro-4-(1-hydroxyethyl)-2-methoxyphenol
CID 117416440
3-amino-2-(3-fluoro-2-methoxy-6-methylphenyl)propanoic acid
CID 84691052

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-difluoro-2-methoxyphenyl)ethanol?
The IUPAC name of 1-(3,6-difluoro-2-methoxyphenyl)ethanol (CID 84661307) is 1-(3,6-difluoro-2-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3,6-difluoro-2-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3,6-difluoro-2-methoxyphenyl)ethanol is COc1c(F)ccc(F)c1C(C)O.
What is the InChIKey of 1-(3,6-difluoro-2-methoxyphenyl)ethanol?
The InChIKey is RLWJQPCOMFBWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c1-5(12)8-6(10)3-4-7(11)9(8)13-2/h3-5,12H,1-2H3.
What are the key properties of 1-(3,6-difluoro-2-methoxyphenyl)ethanol?
1-(3,6-difluoro-2-methoxyphenyl)ethanol has a molecular weight of 188.17 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-difluoro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 84661307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).