3-(2,4-dihydroxy-3-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one

C30H27NO4 — CID 11167202

IUPAC3-(2,4-dihydroxy-3-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one
SMILESCc1cccc(N2C(=O)C(c3cc(C)c(O)c(C)c3)(c3ccc(O)c(C)c3O)c3ccccc32)c1
InChIInChI=1S/C30H27NO4/c1-17-8-7-9-22(14-17)31-25-11-6-5-10-23(25)30(29(31)35,21-15-18(2)27(33)19(3)16-21)24-12-13-26(32)20(4)28(24)34/h5-16,32-34H,1-4H3
InChIKeyVCLMKNDEIFMAQK-UHFFFAOYSA-N
MW465.55 g/mol
LogP6.05
Rot. Bonds3

About 3-(2,4-dihydroxy-3-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one

3-(2,4-dihydroxy-3-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one (PubChem CID 11167202) has the molecular formula C30H27NO4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 3-(2,4-dihydroxy-3-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one.

Molecular Properties

Compound Name3-(2,4-dihydroxy-3-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one
PubChem CID11167202
Molecular FormulaC30H27NO4
Molecular Weight465.55 g/mol
Exact Mass465.19
IUPAC Name3-(2,4-dihydroxy-3-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one
SMILESCc1cccc(N2C(=O)C(c3cc(C)c(O)c(C)c3)(c3ccc(O)c(C)c3O)c3ccccc32)c1
InChIInChI=1S/C30H27NO4/c1-17-8-7-9-22(14-17)31-25-11-6-5-10-23(25)30(29(31)35,21-15-18(2)27(33)19(3)16-21)24-12-13-26(32)20(4)28(24)34/h5-16,32-34H,1-4H3
InChIKeyVCLMKNDEIFMAQK-UHFFFAOYSA-N
XLogP6.05
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-fluoro-2-hydroxy-4-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one
CID 58914740
3,3-bis(2-hydroxy-5-phenylphenyl)-1-phenylindol-2-one
CID 137479922
1-benzyl-3,3-bis(4-hydroxy-3-methylphenyl)indol-2-one
CID 2802496
1-[(2,4-difluorophenyl)methyl]-3,3-bis(4-hydroxy-3,5-dimethylphenyl)indol-2-one
CID 10152326
4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2,3-dimethylphenol
CID 71231529
1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 56977746
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
2-[[12,12-dimethyl-7-(3-methylphenyl)benzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 121355532
2,3-dimethylphenol;2,4-dimethylphenol
CID 67827029
2,4-dimethylphenol;2,6-dimethylphenol;methane
CID 162172477
9,9-bis(2-methylphenyl)-10-phenylacridine
CID 59470095
3-[4-hydroxy-3-(3-methylphenyl)phenyl]-1-phenyl-3H-indol-2-one
CID 151275315

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxy-3-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one?
The IUPAC name of 3-(2,4-dihydroxy-3-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one (CID 11167202) is 3-(2,4-dihydroxy-3-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one.
What is the SMILES notation for 3-(2,4-dihydroxy-3-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one?
The canonical SMILES for 3-(2,4-dihydroxy-3-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one is Cc1cccc(N2C(=O)C(c3cc(C)c(O)c(C)c3)(c3ccc(O)c(C)c3O)c3ccccc32)c1.
What is the InChIKey of 3-(2,4-dihydroxy-3-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one?
The InChIKey is VCLMKNDEIFMAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO4/c1-17-8-7-9-22(14-17)31-25-11-6-5-10-23(25)30(29(31)35,21-15-18(2)27(33)19(3)16-21)24-12-13-26(32)20(4)28(24)34/h5-16,32-34H,1-4H3.
What are the key properties of 3-(2,4-dihydroxy-3-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one?
3-(2,4-dihydroxy-3-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one has a molecular weight of 465.55 g/mol, XLogP of 6.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxy-3-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one is sourced from PubChem (CID 11167202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).