1-(5-fluoro-1H-indol-2-yl)-4-hydroxy-4-phenylbutan-1-one

C18H16FNO2 — CID 58125913

IUPAC1-(5-fluoro-1H-indol-2-yl)-4-hydroxy-4-phenylbutan-1-one
SMILESO=C(CCC(O)c1ccccc1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C18H16FNO2/c19-14-6-7-15-13(10-14)11-16(20-15)18(22)9-8-17(21)12-4-2-1-3-5-12/h1-7,10-11,17,20-21H,8-9H2
InChIKeyKXUXLNAXAXJDSA-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.00
Rot. Bonds5

About 1-(5-fluoro-1H-indol-2-yl)-4-hydroxy-4-phenylbutan-1-one

1-(5-fluoro-1H-indol-2-yl)-4-hydroxy-4-phenylbutan-1-one (PubChem CID 58125913) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-(5-fluoro-1H-indol-2-yl)-4-hydroxy-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-1H-indol-2-yl)-4-hydroxy-4-phenylbutan-1-one
PubChem CID58125913
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name1-(5-fluoro-1H-indol-2-yl)-4-hydroxy-4-phenylbutan-1-one
SMILESO=C(CCC(O)c1ccccc1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C18H16FNO2/c19-14-6-7-15-13(10-14)11-16(20-15)18(22)9-8-17(21)12-4-2-1-3-5-12/h1-7,10-11,17,20-21H,8-9H2
InChIKeyKXUXLNAXAXJDSA-UHFFFAOYSA-N
XLogP4.00
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(5-fluoro-1H-indol-2-yl)-4-hydroxy-4-phenylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoro-1H-indol-2-yl)-2-hydroxyethanone
CID 146281441
2-chloro-1-(5-fluoro-1H-indol-2-yl)ethanone
CID 45081081
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
3-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-1H-indol-2-yl)propan-1-one
CID 58125888
1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone
CID 82396041
3-cyclohexyl-1-(5-fluoro-1H-indol-2-yl)propan-1-one
CID 58125958
5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 39982788
3-[(5-fluoro-1H-indole-2-carbonyl)-methylamino]propanoic acid
CID 110834896
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 111115526
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
5-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide
CID 118425440

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1H-indol-2-yl)-4-hydroxy-4-phenylbutan-1-one?
The IUPAC name of 1-(5-fluoro-1H-indol-2-yl)-4-hydroxy-4-phenylbutan-1-one (CID 58125913) is 1-(5-fluoro-1H-indol-2-yl)-4-hydroxy-4-phenylbutan-1-one.
What is the SMILES notation for 1-(5-fluoro-1H-indol-2-yl)-4-hydroxy-4-phenylbutan-1-one?
The canonical SMILES for 1-(5-fluoro-1H-indol-2-yl)-4-hydroxy-4-phenylbutan-1-one is O=C(CCC(O)c1ccccc1)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 1-(5-fluoro-1H-indol-2-yl)-4-hydroxy-4-phenylbutan-1-one?
The InChIKey is KXUXLNAXAXJDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c19-14-6-7-15-13(10-14)11-16(20-15)18(22)9-8-17(21)12-4-2-1-3-5-12/h1-7,10-11,17,20-21H,8-9H2.
What are the key properties of 1-(5-fluoro-1H-indol-2-yl)-4-hydroxy-4-phenylbutan-1-one?
1-(5-fluoro-1H-indol-2-yl)-4-hydroxy-4-phenylbutan-1-one has a molecular weight of 297.33 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1H-indol-2-yl)-4-hydroxy-4-phenylbutan-1-one is sourced from PubChem (CID 58125913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).