1-(4-chlorophenyl)-3-methoxy-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one

C23H22ClNO2 — CID 102493879

IUPAC1-(4-chlorophenyl)-3-methoxy-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one
SMILESCOc1c2c(n(-c3ccc(Cl)cc3)c1-c1ccccc1)CC(C)(C)CC2=O
InChIInChI=1S/C23H22ClNO2/c1-23(2)13-18-20(19(26)14-23)22(27-3)21(15-7-5-4-6-8-15)25(18)17-11-9-16(24)10-12-17/h4-12H,13-14H2,1-3H3
InChIKeyLJOGRSRVFWCNCF-UHFFFAOYSA-N
MW379.89 g/mol
LogP5.96
Rot. Bonds3

About 1-(4-chlorophenyl)-3-methoxy-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one

1-(4-chlorophenyl)-3-methoxy-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one (PubChem CID 102493879) has the molecular formula C23H22ClNO2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methoxy-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methoxy-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one
PubChem CID102493879
Molecular FormulaC23H22ClNO2
Molecular Weight379.89 g/mol
Exact Mass379.13
IUPAC Name1-(4-chlorophenyl)-3-methoxy-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one
SMILESCOc1c2c(n(-c3ccc(Cl)cc3)c1-c1ccccc1)CC(C)(C)CC2=O
InChIInChI=1S/C23H22ClNO2/c1-23(2)13-18-20(19(26)14-23)22(27-3)21(15-7-5-4-6-8-15)25(18)17-11-9-16(24)10-12-17/h4-12H,13-14H2,1-3H3
InChIKeyLJOGRSRVFWCNCF-UHFFFAOYSA-N
XLogP5.96
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;1-(4-chlorophenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one
CID 163342661
1-(4-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3-(2-phenyl-1H-indol-3-yl)-5,7-dihydroindol-4-one
CID 139146413
3,3-dimethyl-5-(4-methylphenyl)-2,4-dihydrobenzo[b]carbazole-1,6,11-trione
CID 72702672
1-(4-chlorophenyl)-6,7-dimethoxy-2-phenylisoquinolin-3-one
CID 134912871
6,6-dimethyl-3-phenyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one
CID 70121924
1-chloro-4-(4,4-dimethyl-2-phenylcyclopenten-1-yl)benzene
CID 69123397
[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl] carbonochloridate;ethene
CID 142077908
2-(2,6,6-trimethyl-4-oxo-1-phenyl-5,7-dihydroindol-3-yl)acetic acid
CID 5298292
3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-2,6,6-trimethyl-1-phenyl-5,7-dihydroindol-4-one
CID 3088568
7-chloro-10-hydroxy-3,3-dimethyl-2,4-dihydroacridine-1,9-dione
CID 623984
2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]-2-oxoacetic acid
CID 71166695
1-(2-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione
CID 1382208

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methoxy-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-(4-chlorophenyl)-3-methoxy-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one (CID 102493879) is 1-(4-chlorophenyl)-3-methoxy-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-methoxy-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-methoxy-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one is COc1c2c(n(-c3ccc(Cl)cc3)c1-c1ccccc1)CC(C)(C)CC2=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-methoxy-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one?
The InChIKey is LJOGRSRVFWCNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO2/c1-23(2)13-18-20(19(26)14-23)22(27-3)21(15-7-5-4-6-8-15)25(18)17-11-9-16(24)10-12-17/h4-12H,13-14H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-3-methoxy-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one?
1-(4-chlorophenyl)-3-methoxy-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one has a molecular weight of 379.89 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-methoxy-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 102493879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).