1-phenyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one

C24H23NO4 — CID 43912762

IUPAC1-phenyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
SMILESCOc1ccc(CC2C(=O)N(c3ccccc3)c3ccccc32)c(OC)c1OC
InChIInChI=1S/C24H23NO4/c1-27-21-14-13-16(22(28-2)23(21)29-3)15-19-18-11-7-8-12-20(18)25(24(19)26)17-9-5-4-6-10-17/h4-14,19H,15H2,1-3H3
InChIKeyZPXOUOFQHIZTAT-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.72
Rot. Bonds6

About 1-phenyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one

1-phenyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one (PubChem CID 43912762) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 1-phenyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-phenyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
PubChem CID43912762
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name1-phenyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
SMILESCOc1ccc(CC2C(=O)N(c3ccccc3)c3ccccc32)c(OC)c1OC
InChIInChI=1S/C24H23NO4/c1-27-21-14-13-16(22(28-2)23(21)29-3)15-19-18-11-7-8-12-20(18)25(24(19)26)17-9-5-4-6-10-17/h4-14,19H,15H2,1-3H3
InChIKeyZPXOUOFQHIZTAT-UHFFFAOYSA-N
XLogP4.72
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-ethyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 26367748
3-[(4-methoxy-3-methylphenyl)methyl]-1-phenyl-3H-indol-2-one
CID 43912760
(3S)-3-benzyl-1-phenyl-3H-indol-2-one
CID 26367892
5-bromo-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 43912542
(3S)-3-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
CID 98160352
5-[(4-methoxynaphthalen-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 171982462
(5S)-5-benzyl-3-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidine-2,4-dione
CID 10623254
(3R)-3-methyl-1-phenyl-3H-indol-2-one
CID 6951281
(3S)-3-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
CID 95059760
3-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
CID 53044238
(3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
CID 26367875
1-phenyl-2-(2,3,4-trimethoxyphenyl)ethanone
CID 10108046

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one?
The IUPAC name of 1-phenyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one (CID 43912762) is 1-phenyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 1-phenyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 1-phenyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one is COc1ccc(CC2C(=O)N(c3ccccc3)c3ccccc32)c(OC)c1OC.
What is the InChIKey of 1-phenyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one?
The InChIKey is ZPXOUOFQHIZTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-27-21-14-13-16(22(28-2)23(21)29-3)15-19-18-11-7-8-12-20(18)25(24(19)26)17-9-5-4-6-10-17/h4-14,19H,15H2,1-3H3.
What are the key properties of 1-phenyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one?
1-phenyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one has a molecular weight of 389.45 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 43912762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).