1-(4-fluorophenyl)-4-(5-hydroxy-1H-indol-3-yl)butan-1-one

C18H16FNO2 — CID 157120975

IUPAC1-(4-fluorophenyl)-4-(5-hydroxy-1H-indol-3-yl)butan-1-one
SMILESO=C(CCCc1c[nH]c2ccc(O)cc12)c1ccc([18F])cc1
InChIInChI=1S/C18H16FNO2/c19-14-6-4-12(5-7-14)18(22)3-1-2-13-11-20-17-9-8-15(21)10-16(13)17/h4-11,20-21H,1-3H2/i19-1
InChIKeyQVVALCQZMWJKFL-AWDFDDCISA-N
MW296.33 g/mol
LogP4.22
Rot. Bonds5

About 1-(4-fluorophenyl)-4-(5-hydroxy-1H-indol-3-yl)butan-1-one

1-(4-fluorophenyl)-4-(5-hydroxy-1H-indol-3-yl)butan-1-one (PubChem CID 157120975) has the molecular formula C18H16FNO2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(5-hydroxy-1H-indol-3-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(5-hydroxy-1H-indol-3-yl)butan-1-one
PubChem CID157120975
Molecular FormulaC18H16FNO2
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name1-(4-fluorophenyl)-4-(5-hydroxy-1H-indol-3-yl)butan-1-one
SMILESO=C(CCCc1c[nH]c2ccc(O)cc12)c1ccc([18F])cc1
InChIInChI=1S/C18H16FNO2/c19-14-6-4-12(5-7-14)18(22)3-1-2-13-11-20-17-9-8-15(21)10-16(13)17/h4-11,20-21H,1-3H2/i19-1
InChIKeyQVVALCQZMWJKFL-AWDFDDCISA-N
XLogP4.22
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
4-(1H-indol-3-yl)-1-phenylbutan-1-one
CID 101437539
3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 10899794
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
N-[3-(5-hydroxy-1H-indol-3-yl)propyl]benzamide
CID 18360710
3-propyl-1H-indol-5-ol
CID 15366338
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid
CID 19921669
1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one
CID 149029934
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride
CID 144798694

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(5-hydroxy-1H-indol-3-yl)butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-(5-hydroxy-1H-indol-3-yl)butan-1-one (CID 157120975) is 1-(4-fluorophenyl)-4-(5-hydroxy-1H-indol-3-yl)butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(5-hydroxy-1H-indol-3-yl)butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-(5-hydroxy-1H-indol-3-yl)butan-1-one is O=C(CCCc1c[nH]c2ccc(O)cc12)c1ccc([18F])cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(5-hydroxy-1H-indol-3-yl)butan-1-one?
The InChIKey is QVVALCQZMWJKFL-AWDFDDCISA-N. The full InChI is InChI=1S/C18H16FNO2/c19-14-6-4-12(5-7-14)18(22)3-1-2-13-11-20-17-9-8-15(21)10-16(13)17/h4-11,20-21H,1-3H2/i19-1.
What are the key properties of 1-(4-fluorophenyl)-4-(5-hydroxy-1H-indol-3-yl)butan-1-one?
1-(4-fluorophenyl)-4-(5-hydroxy-1H-indol-3-yl)butan-1-one has a molecular weight of 296.33 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(5-hydroxy-1H-indol-3-yl)butan-1-one is sourced from PubChem (CID 157120975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).