5-[hydroxy-(4-methoxyphenyl)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one

C18H19NO3 — CID 82173078

IUPAC5-[hydroxy-(4-methoxyphenyl)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one
SMILESCOc1ccc(C(O)c2cc3c(c(C)c2C)NC(=O)C3)cc1
InChIInChI=1S/C18H19NO3/c1-10-11(2)17-13(9-16(20)19-17)8-15(10)18(21)12-4-6-14(22-3)7-5-12/h4-8,18,21H,9H2,1-3H3,(H,19,20)
InChIKeyGLENUIIOFQIDJV-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.89
Rot. Bonds3

About 5-[hydroxy-(4-methoxyphenyl)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one

5-[hydroxy-(4-methoxyphenyl)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one (PubChem CID 82173078) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 5-[hydroxy-(4-methoxyphenyl)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[hydroxy-(4-methoxyphenyl)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one
PubChem CID82173078
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name5-[hydroxy-(4-methoxyphenyl)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one
SMILESCOc1ccc(C(O)c2cc3c(c(C)c2C)NC(=O)C3)cc1
InChIInChI=1S/C18H19NO3/c1-10-11(2)17-13(9-16(20)19-17)8-15(10)18(21)12-4-6-14(22-3)7-5-12/h4-8,18,21H,9H2,1-3H3,(H,19,20)
InChIKeyGLENUIIOFQIDJV-UHFFFAOYSA-N
XLogP2.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 82173545
5-methoxy-6,7-dimethyl-1,3-dihydroindol-2-one
CID 22238086
5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173058
6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 19854729
5-[hydroxy-(4-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 82172749
6-[hydroxy-(4-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61082397
5-[hydroxy-(2-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 82172747
methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate
CID 117380531
5-[(3-fluoro-4-methoxyphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 62920423
7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 82172917
6-chloro-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one
CID 82173804
5-methoxy-1,3-dihydroindol-2-one;2,2,2-trichloroethane-1,1-diol
CID 158837669

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy-(4-methoxyphenyl)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[hydroxy-(4-methoxyphenyl)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one (CID 82173078) is 5-[hydroxy-(4-methoxyphenyl)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[hydroxy-(4-methoxyphenyl)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[hydroxy-(4-methoxyphenyl)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one is COc1ccc(C(O)c2cc3c(c(C)c2C)NC(=O)C3)cc1.
What is the InChIKey of 5-[hydroxy-(4-methoxyphenyl)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one?
The InChIKey is GLENUIIOFQIDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-10-11(2)17-13(9-16(20)19-17)8-15(10)18(21)12-4-6-14(22-3)7-5-12/h4-8,18,21H,9H2,1-3H3,(H,19,20).
What are the key properties of 5-[hydroxy-(4-methoxyphenyl)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one?
5-[hydroxy-(4-methoxyphenyl)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one has a molecular weight of 297.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy-(4-methoxyphenyl)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).