[3-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl]methanol

C12H12FNO — CID 54523279

IUPAC[3-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl]methanol
SMILESOCc1[nH]ccc1Cc1cccc(F)c1
InChIInChI=1S/C12H12FNO/c13-11-3-1-2-9(7-11)6-10-4-5-14-12(10)8-15/h1-5,7,14-15H,6,8H2
InChIKeyYRIUODRPTWMYPX-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.24
Rot. Bonds3

About [3-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl]methanol

[3-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl]methanol (PubChem CID 54523279) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is [3-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[3-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl]methanol
PubChem CID54523279
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name[3-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl]methanol
SMILESOCc1[nH]ccc1Cc1cccc(F)c1
InChIInChI=1S/C12H12FNO/c13-11-3-1-2-9(7-11)6-10-4-5-14-12(10)8-15/h1-5,7,14-15H,6,8H2
InChIKeyYRIUODRPTWMYPX-UHFFFAOYSA-N
XLogP2.24
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl]methyl methanesulfonate
CID 23335136
2-[(3-fluorophenyl)methyl]aniline
CID 105453525
1-(3-fluorophenyl)-3-hydroxypropan-2-one
CID 70264927
[3-fluoro-5-(3-fluorophenyl)phenyl]methanol
CID 46312406
3-fluoro-4-[(3-fluorophenyl)methyl]benzoic acid
CID 67973995
5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride
CID 122163567
2-[(3-fluorophenyl)methyl]-5-methylaniline
CID 105468725
1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene
CID 141193012
(3-fluorophenyl)methanolate
CID 101198036
methyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate
CID 67973755
4-[4-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 69141444
N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 60764843

Frequently Asked Questions

What is the IUPAC name of [3-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl]methanol?
The IUPAC name of [3-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl]methanol (CID 54523279) is [3-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl]methanol.
What is the SMILES notation for [3-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl]methanol?
The canonical SMILES for [3-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl]methanol is OCc1[nH]ccc1Cc1cccc(F)c1.
What is the InChIKey of [3-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl]methanol?
The InChIKey is YRIUODRPTWMYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-11-3-1-2-9(7-11)6-10-4-5-14-12(10)8-15/h1-5,7,14-15H,6,8H2.
What are the key properties of [3-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl]methanol?
[3-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl]methanol has a molecular weight of 205.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl]methanol is sourced from PubChem (CID 54523279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).