1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrol-3-yl]ethanol

C14H16FNO2 — CID 102877935

IUPAC1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrol-3-yl]ethanol
SMILESCOc1ccc(Cn2ccc(C(C)O)c2)c(F)c1
InChIInChI=1S/C14H16FNO2/c1-10(17)11-5-6-16(8-11)9-12-3-4-13(18-2)7-14(12)15/h3-8,10,17H,9H2,1-2H3
InChIKeyOUBDEVPCGJZJQK-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.74
Rot. Bonds4

About 1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrol-3-yl]ethanol

1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrol-3-yl]ethanol (PubChem CID 102877935) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrol-3-yl]ethanol
PubChem CID102877935
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrol-3-yl]ethanol
SMILESCOc1ccc(Cn2ccc(C(C)O)c2)c(F)c1
InChIInChI=1S/C14H16FNO2/c1-10(17)11-5-6-16(8-11)9-12-3-4-13(18-2)7-14(12)15/h3-8,10,17H,9H2,1-2H3
InChIKeyOUBDEVPCGJZJQK-UHFFFAOYSA-N
XLogP2.74
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol
CID 102878488
1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097108
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719299
1-[1-[(4-chloro-2-fluorophenyl)methyl]pyrrol-3-yl]-2,2,2-trifluoroethanol
CID 114851471
(1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 96930071
1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 102880149
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-propan-2-ylpiperazin-2-yl]ethanol
CID 45222201
1-(1-ethylpyrrol-3-yl)ethanol
CID 79107280
1-(2-fluoro-4-methoxyanilino)propan-2-ol
CID 82539782
1-[(2-fluoro-4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 102877143
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
CID 59418410
CID 59418410

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrol-3-yl]ethanol?
The IUPAC name of 1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrol-3-yl]ethanol (CID 102877935) is 1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrol-3-yl]ethanol.
What is the SMILES notation for 1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrol-3-yl]ethanol?
The canonical SMILES for 1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrol-3-yl]ethanol is COc1ccc(Cn2ccc(C(C)O)c2)c(F)c1.
What is the InChIKey of 1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrol-3-yl]ethanol?
The InChIKey is OUBDEVPCGJZJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-10(17)11-5-6-16(8-11)9-12-3-4-13(18-2)7-14(12)15/h3-8,10,17H,9H2,1-2H3.
What are the key properties of 1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrol-3-yl]ethanol?
1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrol-3-yl]ethanol has a molecular weight of 249.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrol-3-yl]ethanol is sourced from PubChem (CID 102877935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).