[(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium

C15H14NO3+ — CID 169143867

IUPAC[(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium
SMILESCOC(=O)c1ccc(O)c(C(=[NH2+])c2ccccc2)c1
InChIInChI=1S/C15H13NO3/c1-19-15(18)11-7-8-13(17)12(9-11)14(16)10-5-3-2-4-6-10/h2-9,16-17H,1H3/p+1
InChIKeyKILCLWLDAQBMJZ-UHFFFAOYSA-O
MW256.28 g/mol
LogP0.78
Rot. Bonds3

About [(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium

[(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium (PubChem CID 169143867) has the molecular formula C15H14NO3+ and a molecular weight of 256.28 g/mol. Its IUPAC name is [(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium.

Molecular Properties

Compound Name[(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium
PubChem CID169143867
Molecular FormulaC15H14NO3+
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name[(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium
SMILESCOC(=O)c1ccc(O)c(C(=[NH2+])c2ccccc2)c1
InChIInChI=1S/C15H13NO3/c1-19-15(18)11-7-8-13(17)12(9-11)14(16)10-5-3-2-4-6-10/h2-9,16-17H,1H3/p+1
InChIKeyKILCLWLDAQBMJZ-UHFFFAOYSA-O
XLogP0.78
TPSA72.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
methyl 4-benzoyl-3-hydroxybenzoate
CID 132545644
methyl 4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]benzoate
CID 11565405
methyl 4-hydroxy-3-phenylbenzoate
CID 15066016
methyl 4-hydroxy-3-(5-phenylpenta-2,4-dienoyl)benzoate
CID 88788727
methyl 4-hydroxy-3-[(E)-3-oxo-5-phenylpent-4-enoyl]benzoate
CID 12533659
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
dimethyl benzene-1,2-dicarboxylate;dimethyl benzene-1,3-dicarboxylate;terephthalic acid
CID 67578503
(3-methoxycarbonylphenyl)-(4-methoxycarbonylphenyl)-phenylsulfanium
CID 171721849
methyl 3-[(2,6-difluorophenyl)carbamoyl]-4-hydroxybenzoate
CID 78358043
CID 70265363
CID 70265363

Frequently Asked Questions

What is the IUPAC name of [(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium?
The IUPAC name of [(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium (CID 169143867) is [(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium.
What is the SMILES notation for [(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium?
The canonical SMILES for [(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium is COC(=O)c1ccc(O)c(C(=[NH2+])c2ccccc2)c1.
What is the InChIKey of [(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium?
The InChIKey is KILCLWLDAQBMJZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H13NO3/c1-19-15(18)11-7-8-13(17)12(9-11)14(16)10-5-3-2-4-6-10/h2-9,16-17H,1H3/p+1.
What are the key properties of [(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium?
[(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium has a molecular weight of 256.28 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium is sourced from PubChem (CID 169143867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).