1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol

C12H17FO3 — CID 62797147

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol
SMILESCCCOCC(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H17FO3/c1-3-6-16-8-11(14)9-4-5-12(15-2)10(13)7-9/h4-5,7,11,14H,3,6,8H2,1-2H3
InChIKeyWMOHPVJHHBLWNN-UHFFFAOYSA-N
MW228.26 g/mol
LogP2.29
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol

1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol (PubChem CID 62797147) has the molecular formula C12H17FO3 and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol
PubChem CID62797147
Molecular FormulaC12H17FO3
Molecular Weight228.26 g/mol
Exact Mass228.12
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol
SMILESCCCOCC(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H17FO3/c1-3-6-16-8-11(14)9-4-5-12(15-2)10(13)7-9/h4-5,7,11,14H,3,6,8H2,1-2H3
InChIKeyWMOHPVJHHBLWNN-UHFFFAOYSA-N
XLogP2.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine
CID 62797505
1-(3-fluoro-4-methoxyphenyl)undecan-1-ol
CID 65151223
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83000611
2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 65130437
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 112510192
1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol
CID 115817551
1-(3-fluoro-4-methoxyphenyl)-1-propoxypentan-2-one
CID 83225657
1-(3-fluoro-4-methoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65134806
1-(3-fluoro-4-methoxyphenyl)pentane-1,5-diol
CID 112509946
1-(3,4-dichlorophenyl)-2-propoxyethanol
CID 62539379
2-(2-fluoro-6-methoxyphenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 109416014

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol (CID 62797147) is 1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol is CCCOCC(O)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol?
The InChIKey is WMOHPVJHHBLWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3/c1-3-6-16-8-11(14)9-4-5-12(15-2)10(13)7-9/h4-5,7,11,14H,3,6,8H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol?
1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol has a molecular weight of 228.26 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol is sourced from PubChem (CID 62797147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).