2-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-ol

C12H17FO3 — CID 103395382

IUPAC2-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-ol
SMILESCCOC(C)C(O)c1ccc(OC)cc1F
InChIInChI=1S/C12H17FO3/c1-4-16-8(2)12(14)10-6-5-9(15-3)7-11(10)13/h5-8,12,14H,4H2,1-3H3
InChIKeyPHCOSAWODFZPBJ-UHFFFAOYSA-N
MW228.26 g/mol
LogP2.29
Rot. Bonds5

About 2-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-ol

2-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-ol (PubChem CID 103395382) has the molecular formula C12H17FO3 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-ol
PubChem CID103395382
Molecular FormulaC12H17FO3
Molecular Weight228.26 g/mol
Exact Mass228.12
IUPAC Name2-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-ol
SMILESCCOC(C)C(O)c1ccc(OC)cc1F
InChIInChI=1S/C12H17FO3/c1-4-16-8(2)12(14)10-6-5-9(15-3)7-11(10)13/h5-8,12,14H,4H2,1-3H3
InChIKeyPHCOSAWODFZPBJ-UHFFFAOYSA-N
XLogP2.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol
CID 170817736
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol
CID 81304350
3-(2-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanenitrile
CID 171870108
4-(2-fluoro-4-methoxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877553
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol
CID 113492017
(1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171219623
1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol
CID 170818159
3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 103397334
(1S,2R)-1-amino-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-2-ol
CID 171161424
(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609
(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-ol (CID 103395382) is 2-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-ol is CCOC(C)C(O)c1ccc(OC)cc1F.
What is the InChIKey of 2-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-ol?
The InChIKey is PHCOSAWODFZPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3/c1-4-16-8(2)12(14)10-6-5-9(15-3)7-11(10)13/h5-8,12,14H,4H2,1-3H3.
What are the key properties of 2-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-ol?
2-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-ol has a molecular weight of 228.26 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 103395382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).