2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol

C11H15FO2 — CID 79568215

IUPAC2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol
SMILESCCOCC(O)c1ccc(C)c(F)c1
InChIInChI=1S/C11H15FO2/c1-3-14-7-11(13)9-5-4-8(2)10(12)6-9/h4-6,11,13H,3,7H2,1-2H3
InChIKeySRVPJANSCUNIDP-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.20
Rot. Bonds4

About 2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol

2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol (PubChem CID 79568215) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol
PubChem CID79568215
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol
SMILESCCOCC(O)c1ccc(C)c(F)c1
InChIInChI=1S/C11H15FO2/c1-3-14-7-11(13)9-5-4-8(2)10(12)6-9/h4-6,11,13H,3,7H2,1-2H3
InChIKeySRVPJANSCUNIDP-UHFFFAOYSA-N
XLogP2.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate
CID 63648295
2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 107128616
1-ethoxy-1-(3-fluoro-4-methylphenyl)propan-2-one
CID 83226180
4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-ol
CID 107128525
(1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol
CID 26595281
1-(3-fluoro-4-methylphenyl)-3-methylbut-3-en-1-ol
CID 79177359
3-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 107128201
1-ethoxy-1-(3-fluoro-4-methylphenyl)butan-2-one
CID 83226776
1-(3-fluoro-4-methylphenyl)butane-1,2-diol
CID 107128649
1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103210363
4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 107130391
1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 62797147

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol?
The IUPAC name of 2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol (CID 79568215) is 2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol.
What is the SMILES notation for 2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol?
The canonical SMILES for 2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol is CCOCC(O)c1ccc(C)c(F)c1.
What is the InChIKey of 2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol?
The InChIKey is SRVPJANSCUNIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-3-14-7-11(13)9-5-4-8(2)10(12)6-9/h4-6,11,13H,3,7H2,1-2H3.
What are the key properties of 2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol?
2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol has a molecular weight of 198.24 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol is sourced from PubChem (CID 79568215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).