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

C13H14FNO2 — CID 113453676

IUPAC[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-3-yl]methanol
SMILESCOc1cccc(Cn2ccc(CO)c2)c1F
InChIInChI=1S/C13H14FNO2/c1-17-12-4-2-3-11(13(12)14)8-15-6-5-10(7-15)9-16/h2-7,16H,8-9H2,1H3
InChIKeyZTJDRMIMQRWNMG-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.18
Rot. Bonds4

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

[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-3-yl]methanol (PubChem CID 113453676) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is [1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-3-yl]methanol
PubChem CID113453676
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-3-yl]methanol
SMILESCOc1cccc(Cn2ccc(CO)c2)c1F
InChIInChI=1S/C13H14FNO2/c1-17-12-4-2-3-11(13(12)14)8-15-6-5-10(7-15)9-16/h2-7,16H,8-9H2,1H3
InChIKeyZTJDRMIMQRWNMG-UHFFFAOYSA-N
XLogP2.18
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanol
CID 66400172
(3S,4R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 104794531
1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole
CID 104794972
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721217
2-[(2-fluoro-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 104792917
5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 104792097
[(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 104794526
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole
CID 116621365
1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 104792857
2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 59479327

Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-3-yl]methanol?
The IUPAC name of [1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-3-yl]methanol (CID 113453676) is [1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-3-yl]methanol.
What is the SMILES notation for [1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-3-yl]methanol?
The canonical SMILES for [1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-3-yl]methanol is COc1cccc(Cn2ccc(CO)c2)c1F.
What is the InChIKey of [1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-3-yl]methanol?
The InChIKey is ZTJDRMIMQRWNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-17-12-4-2-3-11(13(12)14)8-15-6-5-10(7-15)9-16/h2-7,16H,8-9H2,1H3.
What are the key properties of [1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-3-yl]methanol?
[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-3-yl]methanol has a molecular weight of 235.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 113453676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).