[1-(4-hydroxybutan-2-yl)indol-3-yl]-phenylmethanone

C19H19NO2 — CID 70526670

IUPAC[1-(4-hydroxybutan-2-yl)indol-3-yl]-phenylmethanone
SMILESCC(CCO)n1cc(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C19H19NO2/c1-14(11-12-21)20-13-17(16-9-5-6-10-18(16)20)19(22)15-7-3-2-4-8-15/h2-10,13-14,21H,11-12H2,1H3
InChIKeyYPYVBVQKJUHKFS-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.82
Rot. Bonds5

About [1-(4-hydroxybutan-2-yl)indol-3-yl]-phenylmethanone

[1-(4-hydroxybutan-2-yl)indol-3-yl]-phenylmethanone (PubChem CID 70526670) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is [1-(4-hydroxybutan-2-yl)indol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(4-hydroxybutan-2-yl)indol-3-yl]-phenylmethanone
PubChem CID70526670
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name[1-(4-hydroxybutan-2-yl)indol-3-yl]-phenylmethanone
SMILESCC(CCO)n1cc(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C19H19NO2/c1-14(11-12-21)20-13-17(16-9-5-6-10-18(16)20)19(22)15-7-3-2-4-8-15/h2-10,13-14,21H,11-12H2,1H3
InChIKeyYPYVBVQKJUHKFS-UHFFFAOYSA-N
XLogP3.82
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-butan-2-ylindol-3-yl)-(4-methylphenyl)methanone
CID 170857237
(3-chlorophenyl)-(1-pentan-2-ylindol-3-yl)methanone
CID 170857303
(1-butan-2-ylindol-3-yl)-(3-fluorophenyl)methanone
CID 170857227
(2-fluorophenyl)-(1-hexan-2-ylindol-3-yl)methanone
CID 170857329
phenyl-[1-tri(propan-2-yl)silylindol-3-yl]methanone
CID 15271992
2-(3-benzoylindol-1-yl)-N-propan-2-ylacetamide
CID 972360
(4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 102235826
3-[3-[4-[3-chloro-1-[4-(2-methylpropyl)phenyl]propoxy]benzoyl]indol-1-yl]butanoic acid
CID 139694900
(3-iodophenyl)-[1-(3-methylbutyl)indol-3-yl]methanone
CID 170857321
1-nonan-3-ylindole-3-carboxylic acid;hydrochloride
CID 90033289
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
1-(3-benzoylindol-1-yl)-3-(4-methylphenyl)propan-2-one
CID 164961814

Frequently Asked Questions

What is the IUPAC name of [1-(4-hydroxybutan-2-yl)indol-3-yl]-phenylmethanone?
The IUPAC name of [1-(4-hydroxybutan-2-yl)indol-3-yl]-phenylmethanone (CID 70526670) is [1-(4-hydroxybutan-2-yl)indol-3-yl]-phenylmethanone.
What is the SMILES notation for [1-(4-hydroxybutan-2-yl)indol-3-yl]-phenylmethanone?
The canonical SMILES for [1-(4-hydroxybutan-2-yl)indol-3-yl]-phenylmethanone is CC(CCO)n1cc(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of [1-(4-hydroxybutan-2-yl)indol-3-yl]-phenylmethanone?
The InChIKey is YPYVBVQKJUHKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-14(11-12-21)20-13-17(16-9-5-6-10-18(16)20)19(22)15-7-3-2-4-8-15/h2-10,13-14,21H,11-12H2,1H3.
What are the key properties of [1-(4-hydroxybutan-2-yl)indol-3-yl]-phenylmethanone?
[1-(4-hydroxybutan-2-yl)indol-3-yl]-phenylmethanone has a molecular weight of 293.37 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-hydroxybutan-2-yl)indol-3-yl]-phenylmethanone is sourced from PubChem (CID 70526670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).