4-(4-hydroxyphenyl)-3-(1H-indol-5-yl)pent-3-en-2-one

C19H17NO2 — CID 123719151

IUPAC4-(4-hydroxyphenyl)-3-(1H-indol-5-yl)pent-3-en-2-one
SMILESCC(=O)C(=C(C)c1ccc(O)cc1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C19H17NO2/c1-12(14-3-6-17(22)7-4-14)19(13(2)21)16-5-8-18-15(11-16)9-10-20-18/h3-11,20,22H,1-2H3
InChIKeyMPESPHWDZVNBLV-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.39
Rot. Bonds3

About 4-(4-hydroxyphenyl)-3-(1H-indol-5-yl)pent-3-en-2-one

4-(4-hydroxyphenyl)-3-(1H-indol-5-yl)pent-3-en-2-one (PubChem CID 123719151) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-3-(1H-indol-5-yl)pent-3-en-2-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-3-(1H-indol-5-yl)pent-3-en-2-one
PubChem CID123719151
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name4-(4-hydroxyphenyl)-3-(1H-indol-5-yl)pent-3-en-2-one
SMILESCC(=O)C(=C(C)c1ccc(O)cc1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C19H17NO2/c1-12(14-3-6-17(22)7-4-14)19(13(2)21)16-5-8-18-15(11-16)9-10-20-18/h3-11,20,22H,1-2H3
InChIKeyMPESPHWDZVNBLV-UHFFFAOYSA-N
XLogP4.39
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(1H-indol-5-yl)phenyl]ethanone
CID 82039796
N-(2-hydroxy-4-methylphenyl)-1H-indole-5-carboxamide
CID 63716979
N-(2-chloro-4-hydroxyphenyl)-1H-indole-5-carboxamide
CID 64786778
3-(1H-indol-5-yl)-3-oxopropanoic acid
CID 170886874
1H-indol-5-ol;2,2,2-trifluoroacetic acid
CID 162071647
tert-butyl formate;1-(1H-indol-5-yl)ethanone
CID 174513916
(2R)-1-(1H-indol-5-yl)-2-(methylamino)propan-1-one
CID 97056556
N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide
CID 63718611
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
N-tert-butyl-2-(1H-indol-5-yl)-2-oxoacetamide
CID 132598118
1-(1H-indol-5-yl)-4-methylpentan-1-one
CID 10976846
acetic acid;bis(1H-indole)
CID 162014067

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-3-(1H-indol-5-yl)pent-3-en-2-one?
The IUPAC name of 4-(4-hydroxyphenyl)-3-(1H-indol-5-yl)pent-3-en-2-one (CID 123719151) is 4-(4-hydroxyphenyl)-3-(1H-indol-5-yl)pent-3-en-2-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)-3-(1H-indol-5-yl)pent-3-en-2-one?
The canonical SMILES for 4-(4-hydroxyphenyl)-3-(1H-indol-5-yl)pent-3-en-2-one is CC(=O)C(=C(C)c1ccc(O)cc1)c1ccc2[nH]ccc2c1.
What is the InChIKey of 4-(4-hydroxyphenyl)-3-(1H-indol-5-yl)pent-3-en-2-one?
The InChIKey is MPESPHWDZVNBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-12(14-3-6-17(22)7-4-14)19(13(2)21)16-5-8-18-15(11-16)9-10-20-18/h3-11,20,22H,1-2H3.
What are the key properties of 4-(4-hydroxyphenyl)-3-(1H-indol-5-yl)pent-3-en-2-one?
4-(4-hydroxyphenyl)-3-(1H-indol-5-yl)pent-3-en-2-one has a molecular weight of 291.35 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-3-(1H-indol-5-yl)pent-3-en-2-one is sourced from PubChem (CID 123719151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).