1-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxyphenyl)ethanone

C16H15NO2 — CID 116554091

IUPAC1-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxyphenyl)ethanone
SMILESO=C(Cc1cccc(O)c1)c1ccc2c(c1)CCN2
InChIInChI=1S/C16H15NO2/c18-14-3-1-2-11(8-14)9-16(19)13-4-5-15-12(10-13)6-7-17-15/h1-5,8,10,17-18H,6-7,9H2
InChIKeyCXCZJWLQZMBANL-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.79
Rot. Bonds3

About 1-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxyphenyl)ethanone

1-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxyphenyl)ethanone (PubChem CID 116554091) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxyphenyl)ethanone
PubChem CID116554091
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name1-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxyphenyl)ethanone
SMILESO=C(Cc1cccc(O)c1)c1ccc2c(c1)CCN2
InChIInChI=1S/C16H15NO2/c18-14-3-1-2-11(8-14)9-16(19)13-4-5-15-12(10-13)6-7-17-15/h1-5,8,10,17-18H,6-7,9H2
InChIKeyCXCZJWLQZMBANL-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride
CID 56766314
1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 103052290
1-(2,3-dihydro-1H-indol-5-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 116554273
1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one
CID 116554189
2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 114935348
2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554333
1-(2,3-dihydro-1H-indol-5-yl)hex-4-yn-1-one
CID 116554292
2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 106871189
1-(3-bromo-4-hydroxyphenyl)-2-(3-hydroxyphenyl)ethanone
CID 68991930
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107061812

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxyphenyl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxyphenyl)ethanone (CID 116554091) is 1-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxyphenyl)ethanone is O=C(Cc1cccc(O)c1)c1ccc2c(c1)CCN2.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxyphenyl)ethanone?
The InChIKey is CXCZJWLQZMBANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-14-3-1-2-11(8-14)9-16(19)13-4-5-15-12(10-13)6-7-17-15/h1-5,8,10,17-18H,6-7,9H2.
What are the key properties of 1-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxyphenyl)ethanone?
1-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxyphenyl)ethanone has a molecular weight of 253.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxyphenyl)ethanone is sourced from PubChem (CID 116554091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).