1-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6,7-dihydro-5H-indol-4-one

C17H18ClNO2 — CID 63466940

IUPAC1-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6,7-dihydro-5H-indol-4-one
SMILESCOc1cc(Cl)c(C)cc1-n1c(C)cc2c1CCCC2=O
InChIInChI=1S/C17H18ClNO2/c1-10-7-15(17(21-3)9-13(10)18)19-11(2)8-12-14(19)5-4-6-16(12)20/h7-9H,4-6H2,1-3H3
InChIKeyOSJDTGMTWHBTIF-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.28
Rot. Bonds2

About 1-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6,7-dihydro-5H-indol-4-one

1-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6,7-dihydro-5H-indol-4-one (PubChem CID 63466940) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6,7-dihydro-5H-indol-4-one
PubChem CID63466940
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name1-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6,7-dihydro-5H-indol-4-one
SMILESCOc1cc(Cl)c(C)cc1-n1c(C)cc2c1CCCC2=O
InChIInChI=1S/C17H18ClNO2/c1-10-7-15(17(21-3)9-13(10)18)19-11(2)8-12-14(19)5-4-6-16(12)20/h7-9H,4-6H2,1-3H3
InChIKeyOSJDTGMTWHBTIF-UHFFFAOYSA-N
XLogP4.28
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2-(4-Chlorophenyl)-1-(2-methoxy-5-methylphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-one
CID 16008681
2-(4-Chlorophenyl)-1-(2,4-dimethoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-one
CID 16008680
1-(2-Methoxy-5-methylphenyl)-6,6-dimethyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one
CID 16008661
1-(2-Methoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one
CID 20864887
N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59807698
2-chloro-N-[2-(difluoromethoxy)phenyl]-5-(2,5-dimethylpyrrol-1-yl)benzamide
CID 24580988
N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide
CID 34369305
1-(4-fluoro-2-methoxyphenyl)-2-methyl-6,7-dihydro-5H-indol-4-one
CID 61972388
1-[2-(difluoromethoxy)phenyl]-2-methyl-6,7-dihydro-5H-indol-4-one
CID 61973327
2-(4-Chlorophenyl)-1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-one
CID 20864889
1-[4-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one
CID 67311676
1-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one
CID 67312118

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6,7-dihydro-5H-indol-4-one (CID 63466940) is 1-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6,7-dihydro-5H-indol-4-one is COc1cc(Cl)c(C)cc1-n1c(C)cc2c1CCCC2=O.
What is the InChIKey of 1-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6,7-dihydro-5H-indol-4-one?
The InChIKey is OSJDTGMTWHBTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-10-7-15(17(21-3)9-13(10)18)19-11(2)8-12-14(19)5-4-6-16(12)20/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6,7-dihydro-5H-indol-4-one?
1-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6,7-dihydro-5H-indol-4-one has a molecular weight of 303.79 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 63466940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).