3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]inden-1-one

C17H13NO3 — CID 135433820

IUPAC3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]inden-1-one
SMILESCOc1ccc(/N=C/C2=C(O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H13NO3/c1-21-12-8-6-11(7-9-12)18-10-15-16(19)13-4-2-3-5-14(13)17(15)20/h2-10,19H,1H3/b18-10+
InChIKeyGOKQVLOLPBQANJ-VCHYOVAHSA-N
MW279.30 g/mol
LogP3.56
Rot. Bonds3

About 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]inden-1-one

3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]inden-1-one (PubChem CID 135433820) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]inden-1-one.

Molecular Properties

Compound Name3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]inden-1-one
PubChem CID135433820
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]inden-1-one
SMILESCOc1ccc(/N=C/C2=C(O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H13NO3/c1-21-12-8-6-11(7-9-12)18-10-15-16(19)13-4-2-3-5-14(13)17(15)20/h2-10,19H,1H3/b18-10+
InChIKeyGOKQVLOLPBQANJ-VCHYOVAHSA-N
XLogP3.56
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.56
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

1H-Indene-1,3(2H)-dione, 2-((phenylamino)methylene)-
CID 135416862
2-{1-[(4-ethoxyphenyl)amino]ethylidene}-1H-indene-1,3(2H)-dione
CID 135411297
1H-Indene-1,3(2H)-dione, 2-[[(methylphenyl)amino]methylene]-
CID 135436083
2-{[(4-fluorophenyl)amino]methylidene}-2,3-dihydro-1H-indene-1,3-dione
CID 135455120
(4E)-4-(anilinomethylidene)-2-(4-methoxyphenyl)isoquinoline-1,3-dione
CID 1364704
5-Methoxy-2-phenyl-indol-3-one
CID 86288911
2-[(2-Hydroxy-5-methylanilino)methylidene]indene-1,3-dione
CID 135406177
2-[1-(4-Methoxyphenyl)iminoethyl]indene-1,3-dione
CID 335122
2-{1-[(4-methoxyphenyl)amino]ethylidene}-1H-indene-1,3(2H)-dione
CID 135401494
2-{[(4-Ethoxyphenyl)amino]methylene}-5-(2-furyl)-1,3-cyclohexanedione
CID 135401498
2-[(2-Methoxyanilino)methylene]-5-phenylcyclohexane-1,3-dione
CID 135401652
2-{1-[(2,4-dimethoxyphenyl)amino]ethylidene}-1H-indene-1,3(2H)-dione
CID 135441618

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]inden-1-one?
The IUPAC name of 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]inden-1-one (CID 135433820) is 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]inden-1-one.
What is the SMILES notation for 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]inden-1-one?
The canonical SMILES for 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]inden-1-one is COc1ccc(/N=C/C2=C(O)c3ccccc3C2=O)cc1.
What is the InChIKey of 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]inden-1-one?
The InChIKey is GOKQVLOLPBQANJ-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H13NO3/c1-21-12-8-6-11(7-9-12)18-10-15-16(19)13-4-2-3-5-14(13)17(15)20/h2-10,19H,1H3/b18-10+.
What are the key properties of 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]inden-1-one?
3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]inden-1-one has a molecular weight of 279.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]inden-1-one is sourced from PubChem (CID 135433820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).