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

C12H17FO3 — CID 81304349

IUPAC1-(2-fluoro-4-methoxyphenyl)-2-propoxyethanol
SMILESCCCOCC(O)c1ccc(OC)cc1F
InChIInChI=1S/C12H17FO3/c1-3-6-16-8-12(14)10-5-4-9(15-2)7-11(10)13/h4-5,7,12,14H,3,6,8H2,1-2H3
InChIKeySAXTXZCBSGFXFR-UHFFFAOYSA-N
MW228.26 g/mol
LogP2.29
Rot. Bonds6

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

1-(2-fluoro-4-methoxyphenyl)-2-propoxyethanol (PubChem CID 81304349) has the molecular formula C12H17FO3 and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-2-propoxyethanol.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-2-propoxyethanol
PubChem CID81304349
Molecular FormulaC12H17FO3
Molecular Weight228.26 g/mol
Exact Mass228.12
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-2-propoxyethanol
SMILESCCCOCC(O)c1ccc(OC)cc1F
InChIInChI=1S/C12H17FO3/c1-3-6-16-8-12(14)10-5-4-9(15-2)7-11(10)13/h4-5,7,12,14H,3,6,8H2,1-2H3
InChIKeySAXTXZCBSGFXFR-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-(4-methoxy-2-methylphenyl)-2-propoxyethanol
CID 65313194
[1-(2-fluoro-4-methoxyphenyl)-2-propoxyethyl]hydrazine
CID 105256812
1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol
CID 81304350
1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473939
1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanol
CID 103395386
2-propoxy-1-(2,3,4-trifluorophenyl)ethanol
CID 62964280
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 105405786
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 62797147
1-(2-bromo-3,4-difluorophenyl)-2-propoxyethanol
CID 107538296
1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol
CID 105095984

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-propoxyethanol?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-propoxyethanol (CID 81304349) is 1-(2-fluoro-4-methoxyphenyl)-2-propoxyethanol.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-2-propoxyethanol?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-2-propoxyethanol is CCCOCC(O)c1ccc(OC)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-2-propoxyethanol?
The InChIKey is SAXTXZCBSGFXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3/c1-3-6-16-8-12(14)10-5-4-9(15-2)7-11(10)13/h4-5,7,12,14H,3,6,8H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-2-propoxyethanol?
1-(2-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-(2-fluoro-4-methoxyphenyl)-2-propoxyethanol is sourced from PubChem (CID 81304349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).