(2-fluorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone

C16H12FNO2 — CID 91690338

IUPAC(2-fluorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone
SMILESO=C(c1ccccc1F)n1cc(CO)c2ccccc21
InChIInChI=1S/C16H12FNO2/c17-14-7-3-1-6-13(14)16(20)18-9-11(10-19)12-5-2-4-8-15(12)18/h1-9,19H,10H2
InChIKeyWPIYGBWDDXBOBD-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.96
Rot. Bonds2

About (2-fluorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone

(2-fluorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone (PubChem CID 91690338) has the molecular formula C16H12FNO2 and a molecular weight of 269.27 g/mol. Its IUPAC name is (2-fluorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone
PubChem CID91690338
Molecular FormulaC16H12FNO2
Molecular Weight269.27 g/mol
Exact Mass269.09
IUPAC Name(2-fluorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone
SMILESO=C(c1ccccc1F)n1cc(CO)c2ccccc21
InChIInChI=1S/C16H12FNO2/c17-14-7-3-1-6-13(14)16(20)18-9-11(10-19)12-5-2-4-8-15(12)18/h1-9,19H,10H2
InChIKeyWPIYGBWDDXBOBD-UHFFFAOYSA-N
XLogP2.96
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorobenzoyl)indole-3-carbohydrazide
CID 91690349
(2,4-dichlorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone
CID 91690472
1-(2-fluorobenzoyl)indole-3-carbonitrile
CID 82122318
1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 24819149
[3-(hydroxymethyl)indol-1-yl]-(3-methyl-4-nitrophenyl)methanone
CID 91690830
[3-(bromomethyl)indol-1-yl]-phenylmethanone
CID 14948482
(3-methylindol-1-yl)-(2-methylphenyl)methanone
CID 101389123
[3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride
CID 12504715
2,2,2-trifluoro-1-[3-(2-hydroxyethyl)indol-1-yl]ethanone
CID 91714492
3-(2-aminoethyl)indole-1-carboxylic acid
CID 69396073
2-[1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid
CID 162537823
1-(2-methylbenzoyl)indole-3-carbaldehyde
CID 82122132

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone (CID 91690338) is (2-fluorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone is O=C(c1ccccc1F)n1cc(CO)c2ccccc21.
What is the InChIKey of (2-fluorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone?
The InChIKey is WPIYGBWDDXBOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-14-7-3-1-6-13(14)16(20)18-9-11(10-19)12-5-2-4-8-15(12)18/h1-9,19H,10H2.
What are the key properties of (2-fluorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone?
(2-fluorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone has a molecular weight of 269.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone is sourced from PubChem (CID 91690338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).