3-(2-hydroxy-4-methoxyphenyl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one

C28H23NO3 — CID 141266731

IUPAC3-(2-hydroxy-4-methoxyphenyl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one
SMILESCOc1ccc(C2C(=O)N(Cc3ccccc3-c3ccccc3)c3ccccc32)c(O)c1
InChIInChI=1S/C28H23NO3/c1-32-21-15-16-24(26(30)17-21)27-23-13-7-8-14-25(23)29(28(27)31)18-20-11-5-6-12-22(20)19-9-3-2-4-10-19/h2-17,27,30H,18H2,1H3
InChIKeyFFWBESCETSGUGC-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.75
Rot. Bonds5

About 3-(2-hydroxy-4-methoxyphenyl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one

3-(2-hydroxy-4-methoxyphenyl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one (PubChem CID 141266731) has the molecular formula C28H23NO3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-(2-hydroxy-4-methoxyphenyl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name3-(2-hydroxy-4-methoxyphenyl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one
PubChem CID141266731
Molecular FormulaC28H23NO3
Molecular Weight421.50 g/mol
Exact Mass421.17
IUPAC Name3-(2-hydroxy-4-methoxyphenyl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one
SMILESCOc1ccc(C2C(=O)N(Cc3ccccc3-c3ccccc3)c3ccccc32)c(O)c1
InChIInChI=1S/C28H23NO3/c1-32-21-15-16-24(26(30)17-21)27-23-13-7-8-14-25(23)29(28(27)31)18-20-11-5-6-12-22(20)19-9-3-2-4-10-19/h2-17,27,30H,18H2,1H3
InChIKeyFFWBESCETSGUGC-UHFFFAOYSA-N
XLogP5.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one
CID 141474200
5-hydroxy-1-[[2-(3-methoxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid
CID 58067690
4-chloro-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one
CID 141474154
1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one
CID 141342791
3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one
CID 43254974
5-methoxy-2-phenylphenol;propan-2-one
CID 175099013
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
(7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one
CID 69040290
(3S)-3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one
CID 143977189
1-(3-methoxybenzoyl)-4-methyl-6-[(2-phenylphenyl)methyl]-1,4-diazepan-5-one
CID 110230214
(6R)-1-(3-methoxybenzoyl)-4-methyl-6-[(2-phenylphenyl)methyl]-1,4-diazepan-5-one
CID 92608542
2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one
CID 102222674

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-4-methoxyphenyl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one?
The IUPAC name of 3-(2-hydroxy-4-methoxyphenyl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one (CID 141266731) is 3-(2-hydroxy-4-methoxyphenyl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 3-(2-hydroxy-4-methoxyphenyl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 3-(2-hydroxy-4-methoxyphenyl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one is COc1ccc(C2C(=O)N(Cc3ccccc3-c3ccccc3)c3ccccc32)c(O)c1.
What is the InChIKey of 3-(2-hydroxy-4-methoxyphenyl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one?
The InChIKey is FFWBESCETSGUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO3/c1-32-21-15-16-24(26(30)17-21)27-23-13-7-8-14-25(23)29(28(27)31)18-20-11-5-6-12-22(20)19-9-3-2-4-10-19/h2-17,27,30H,18H2,1H3.
What are the key properties of 3-(2-hydroxy-4-methoxyphenyl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one?
3-(2-hydroxy-4-methoxyphenyl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one has a molecular weight of 421.50 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-4-methoxyphenyl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 141266731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).