7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one

C18H19NO2 — CID 82172917

IUPAC7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCCc1cc(C(O)c2ccccc2C)cc2c1NC(=O)C2
InChIInChI=1S/C18H19NO2/c1-3-12-8-14(9-13-10-16(20)19-17(12)13)18(21)15-7-5-4-6-11(15)2/h4-9,18,21H,3,10H2,1-2H3,(H,19,20)
InChIKeyDNDQFXAGBAOEFH-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.13
Rot. Bonds3

About 7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one

7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 82172917) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is 7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID82172917
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC Name7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCCc1cc(C(O)c2ccccc2C)cc2c1NC(=O)C2
InChIInChI=1S/C18H19NO2/c1-3-12-8-14(9-13-10-16(20)19-17(12)13)18(21)15-7-5-4-6-11(15)2/h4-9,18,21H,3,10H2,1-2H3,(H,19,20)
InChIKeyDNDQFXAGBAOEFH-UHFFFAOYSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[hydroxy-(2-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 82172747
7-ethyl-5-(1-hydroxy-2-phenoxyethyl)-1,3-dihydroindol-2-one
CID 82172932
5-[amino-(4-methylphenyl)methyl]-7-ethyl-1,3-dihydroindol-2-one
CID 82172898
7-ethyl-5-methyl-1,3-dihydroindol-2-one
CID 142337583
5-[hydroxy-(4-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 82172749
8-ethyl-6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174009
6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82173975
2-(7-ethyl-2-oxo-1,3-dihydroindol-5-yl)-3-methylbenzonitrile
CID 122655705
8-ethyl-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174002
6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174233
5-tert-butyl-7-ethyl-1,3-dihydroindol-2-one
CID 134457828
5-[hydroxy-(4-methoxyphenyl)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173078

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one (CID 82172917) is 7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one is CCc1cc(C(O)c2ccccc2C)cc2c1NC(=O)C2.
What is the InChIKey of 7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is DNDQFXAGBAOEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-12-8-14(9-13-10-16(20)19-17(12)13)18(21)15-7-5-4-6-11(15)2/h4-9,18,21H,3,10H2,1-2H3,(H,19,20).
What are the key properties of 7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one?
7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 281.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).