4-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid

C17H16N2O3 — CID 154862519

IUPAC4-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid
SMILESCOc1ccc2c(c1)/C(=N/Nc1ccc(C(=O)O)cc1)CC2
InChIInChI=1S/C17H16N2O3/c1-22-14-8-4-11-5-9-16(15(11)10-14)19-18-13-6-2-12(3-7-13)17(20)21/h2-4,6-8,10,18H,5,9H2,1H3,(H,20,21)/b19-16+
InChIKeyNCODAUCSCWLBMD-KNTRCKAVSA-N
MW296.33 g/mol
LogP3.16
Rot. Bonds4

About 4-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid

4-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid (PubChem CID 154862519) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid
PubChem CID154862519
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name4-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid
SMILESCOc1ccc2c(c1)/C(=N/Nc1ccc(C(=O)O)cc1)CC2
InChIInChI=1S/C17H16N2O3/c1-22-14-8-4-11-5-9-16(15(11)10-14)19-18-13-6-2-12(3-7-13)17(20)21/h2-4,6-8,10,18H,5,9H2,1H3,(H,20,21)/b19-16+
InChIKeyNCODAUCSCWLBMD-KNTRCKAVSA-N
XLogP3.16
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2E)-2-(7-methoxy-3,4-dihydro-2H-1-benzoxepin-5-ylidene)hydrazinyl]benzoic acid
CID 154862678
4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid
CID 9013002
N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline
CID 6076381
2-[(6-methoxy-2,3-dihydroinden-1-ylidene)amino]guanidine
CID 79368772
2-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-4-methoxyphenolate
CID 135692416
4-(methoxyamino)benzoic acid
CID 58668568
2-chloro-4-[(2Z)-2-(8-methoxy-3,4-dihydro-2H-1-benzoxepin-5-ylidene)hydrazinyl]benzoic acid
CID 154861455
4-(2-chloro-5-methoxyphenyl)benzoic acid
CID 53218398
[(Z)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino] methanesulfonate
CID 86723699
[(E)-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]thiourea
CID 71602930
4-N,6-N-bis[(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-N-phenylpyrimidine-2,4,6-triamine
CID 139976197
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid?
The IUPAC name of 4-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid (CID 154862519) is 4-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid?
The canonical SMILES for 4-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid is COc1ccc2c(c1)/C(=N/Nc1ccc(C(=O)O)cc1)CC2.
What is the InChIKey of 4-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid?
The InChIKey is NCODAUCSCWLBMD-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-22-14-8-4-11-5-9-16(15(11)10-14)19-18-13-6-2-12(3-7-13)17(20)21/h2-4,6-8,10,18H,5,9H2,1H3,(H,20,21)/b19-16+.
What are the key properties of 4-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid?
4-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid has a molecular weight of 296.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid is sourced from PubChem (CID 154862519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).