3-hydroxy-2-[N-(3-methoxyphenyl)-C-phenylcarbonimidoyl]inden-1-one

C23H17NO3 — CID 135410622

IUPAC3-hydroxy-2-[N-(3-methoxyphenyl)-C-phenylcarbonimidoyl]inden-1-one
SMILESCOc1cccc(/N=C(/C2=C(O)c3ccccc3C2=O)c2ccccc2)c1
InChIInChI=1S/C23H17NO3/c1-27-17-11-7-10-16(14-17)24-21(15-8-3-2-4-9-15)20-22(25)18-12-5-6-13-19(18)23(20)26/h2-14,25H,1H3/b24-21+
InChIKeyAGCWYOLMBGARDC-DARPEHSRSA-N
MW355.39 g/mol
LogP4.98
Rot. Bonds4

About 3-hydroxy-2-[N-(3-methoxyphenyl)-C-phenylcarbonimidoyl]inden-1-one

3-hydroxy-2-[N-(3-methoxyphenyl)-C-phenylcarbonimidoyl]inden-1-one (PubChem CID 135410622) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-hydroxy-2-[N-(3-methoxyphenyl)-C-phenylcarbonimidoyl]inden-1-one.

Molecular Properties

Compound Name3-hydroxy-2-[N-(3-methoxyphenyl)-C-phenylcarbonimidoyl]inden-1-one
PubChem CID135410622
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name3-hydroxy-2-[N-(3-methoxyphenyl)-C-phenylcarbonimidoyl]inden-1-one
SMILESCOc1cccc(/N=C(/C2=C(O)c3ccccc3C2=O)c2ccccc2)c1
InChIInChI=1S/C23H17NO3/c1-27-17-11-7-10-16(14-17)24-21(15-8-3-2-4-9-15)20-22(25)18-12-5-6-13-19(18)23(20)26/h2-14,25H,1H3/b24-21+
InChIKeyAGCWYOLMBGARDC-DARPEHSRSA-N
XLogP4.98
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

10-(4-Methoxyphenyl)iminoanthracen-9-one
CID 56682052
2-{1-[(4-ethoxyphenyl)amino]ethylidene}-1H-indene-1,3(2H)-dione
CID 135411297
10-(3-Hydroxy-4-methoxyphenyl)iminoanthracen-9-one
CID 10019453
10-(3,5-Dimethoxyphenyl)iminoanthracen-9-one
CID 56658134
10-(2,5-Dimethoxyphenyl)iminoanthracen-9-one
CID 56668518
2-{1-[(4-methoxyphenyl)amino]ethylidene}-1H-indene-1,3(2H)-dione
CID 135401494
1H-Indene-1,3(2H)-dione, 2-[[(4-methoxyphenyl)amino]methylene]-
CID 135433820
10-(3,4-Dimethoxyphenyl)iminoanthracen-9-one
CID 56665064
2-Benzoyl-3-[(3-methoxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
CID 135403726
4-[[(4-Methoxyphenyl)-phenylmethylidene]amino]benzoic acid
CID 134142634
2-{[(3,5-dimethoxyphenyl)amino]methylene}-1H-indene-1,3(2H)-dione
CID 135401623
(Z)-3-Hydroxy-2-(((3-methoxyphenyl)imino)-2-thienylmethyl)-1H-inden-1-one
CID 135600301

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[N-(3-methoxyphenyl)-C-phenylcarbonimidoyl]inden-1-one?
The IUPAC name of 3-hydroxy-2-[N-(3-methoxyphenyl)-C-phenylcarbonimidoyl]inden-1-one (CID 135410622) is 3-hydroxy-2-[N-(3-methoxyphenyl)-C-phenylcarbonimidoyl]inden-1-one.
What is the SMILES notation for 3-hydroxy-2-[N-(3-methoxyphenyl)-C-phenylcarbonimidoyl]inden-1-one?
The canonical SMILES for 3-hydroxy-2-[N-(3-methoxyphenyl)-C-phenylcarbonimidoyl]inden-1-one is COc1cccc(/N=C(/C2=C(O)c3ccccc3C2=O)c2ccccc2)c1.
What is the InChIKey of 3-hydroxy-2-[N-(3-methoxyphenyl)-C-phenylcarbonimidoyl]inden-1-one?
The InChIKey is AGCWYOLMBGARDC-DARPEHSRSA-N. The full InChI is InChI=1S/C23H17NO3/c1-27-17-11-7-10-16(14-17)24-21(15-8-3-2-4-9-15)20-22(25)18-12-5-6-13-19(18)23(20)26/h2-14,25H,1H3/b24-21+.
What are the key properties of 3-hydroxy-2-[N-(3-methoxyphenyl)-C-phenylcarbonimidoyl]inden-1-one?
3-hydroxy-2-[N-(3-methoxyphenyl)-C-phenylcarbonimidoyl]inden-1-one has a molecular weight of 355.39 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[N-(3-methoxyphenyl)-C-phenylcarbonimidoyl]inden-1-one is sourced from PubChem (CID 135410622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).