3,3-bis(4-hydroxy-3-methoxyphenyl)-1,5-dimethylindol-2-one

C24H23NO5 — CID 2907402

IUPAC3,3-bis(4-hydroxy-3-methoxyphenyl)-1,5-dimethylindol-2-one
SMILESCOc1cc(C2(c3ccc(O)c(OC)c3)C(=O)N(C)c3ccc(C)cc32)ccc1O
InChIInChI=1S/C24H23NO5/c1-14-5-8-18-17(11-14)24(23(28)25(18)2,15-6-9-19(26)21(12-15)29-3)16-7-10-20(27)22(13-16)30-4/h5-13,26-27H,1-4H3
InChIKeyHNCWUMDEUPKKJJ-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.73
Rot. Bonds4

About 3,3-bis(4-hydroxy-3-methoxyphenyl)-1,5-dimethylindol-2-one

3,3-bis(4-hydroxy-3-methoxyphenyl)-1,5-dimethylindol-2-one (PubChem CID 2907402) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is 3,3-bis(4-hydroxy-3-methoxyphenyl)-1,5-dimethylindol-2-one.

Molecular Properties

Compound Name3,3-bis(4-hydroxy-3-methoxyphenyl)-1,5-dimethylindol-2-one
PubChem CID2907402
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name3,3-bis(4-hydroxy-3-methoxyphenyl)-1,5-dimethylindol-2-one
SMILESCOc1cc(C2(c3ccc(O)c(OC)c3)C(=O)N(C)c3ccc(C)cc32)ccc1O
InChIInChI=1S/C24H23NO5/c1-14-5-8-18-17(11-14)24(23(28)25(18)2,15-6-9-19(26)21(12-15)29-3)16-7-10-20(27)22(13-16)30-4/h5-13,26-27H,1-4H3
InChIKeyHNCWUMDEUPKKJJ-UHFFFAOYSA-N
XLogP3.73
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Sauristolactam
CID 131002
3-[(4-hydroxy-3-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-one
CID 16413182
5-bromo-3,3-bis(4-hydroxy-3-methoxyphenyl)-7-methyl-1,3-dihydro-2H-indol-2-one
CID 2906697
3,3-Bis-(4-hydroxy-phenyl)-5-methoxy-1,3-dihydro-indol-2-one
CID 12218509
3,3-bis(4-hydroxyphenyl)-5-methoxy-7-methyl-1H-indol-2-one
CID 44438770
3-(Benzo[d][1,3]dioxol-5-yl)-3-(hydroxymethyl)-1-pentylindolin-2-one
CID 54582642
3-(Benzo[d][1,3]dioxol-5-yl)-1-benzyl-3-hydroxyindolin-2-one
CID 54584554
5-(3,4-Dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione
CID 141372232
5-(4-Hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione
CID 141372243
3-hydroxy-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one
CID 141372265
3-(3,4-dihydroxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1H-indol-2-one
CID 157035415
(3S)-3-(3,4-dihydroxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1H-indol-2-one
CID 157035424

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-hydroxy-3-methoxyphenyl)-1,5-dimethylindol-2-one?
The IUPAC name of 3,3-bis(4-hydroxy-3-methoxyphenyl)-1,5-dimethylindol-2-one (CID 2907402) is 3,3-bis(4-hydroxy-3-methoxyphenyl)-1,5-dimethylindol-2-one.
What is the SMILES notation for 3,3-bis(4-hydroxy-3-methoxyphenyl)-1,5-dimethylindol-2-one?
The canonical SMILES for 3,3-bis(4-hydroxy-3-methoxyphenyl)-1,5-dimethylindol-2-one is COc1cc(C2(c3ccc(O)c(OC)c3)C(=O)N(C)c3ccc(C)cc32)ccc1O.
What is the InChIKey of 3,3-bis(4-hydroxy-3-methoxyphenyl)-1,5-dimethylindol-2-one?
The InChIKey is HNCWUMDEUPKKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-14-5-8-18-17(11-14)24(23(28)25(18)2,15-6-9-19(26)21(12-15)29-3)16-7-10-20(27)22(13-16)30-4/h5-13,26-27H,1-4H3.
What are the key properties of 3,3-bis(4-hydroxy-3-methoxyphenyl)-1,5-dimethylindol-2-one?
3,3-bis(4-hydroxy-3-methoxyphenyl)-1,5-dimethylindol-2-one has a molecular weight of 405.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-hydroxy-3-methoxyphenyl)-1,5-dimethylindol-2-one is sourced from PubChem (CID 2907402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).