2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate

C20H15N2O5- — CID 6870474

IUPAC2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
SMILESO=C([O-])COc1ccccc1/C=N/NC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C20H16N2O5/c23-17-10-14-6-2-1-5-13(14)9-16(17)20(26)22-21-11-15-7-3-4-8-18(15)27-12-19(24)25/h1-11,23H,12H2,(H,22,26)(H,24,25)/p-1/b21-11+
InChIKeyWHELSFMZECZNSK-SRZZPIQSSA-M
MW363.35 g/mol
LogP1.44
Rot. Bonds6

About 2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate

2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 6870474) has the molecular formula C20H15N2O5- and a molecular weight of 363.35 g/mol. Its IUPAC name is 2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
PubChem CID6870474
Molecular FormulaC20H15N2O5-
Molecular Weight363.35 g/mol
Exact Mass363.10
IUPAC Name2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
SMILESO=C([O-])COc1ccccc1/C=N/NC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C20H16N2O5/c23-17-10-14-6-2-1-5-13(14)9-16(17)20(26)22-21-11-15-7-3-4-8-18(15)27-12-19(24)25/h1-11,23H,12H2,(H,22,26)(H,24,25)/p-1/b21-11+
InChIKeyWHELSFMZECZNSK-SRZZPIQSSA-M
XLogP1.44
TPSA111.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5016843
3-hydroxy-N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
CID 5137761
N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3875423
2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 2306178
2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7341340
N-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3262456
2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 9215630
methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate
CID 9212359
N-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 176513819
2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8518215
3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6870532
3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6070681

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of 2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate (CID 6870474) is 2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for 2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for 2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate is O=C([O-])COc1ccccc1/C=N/NC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of 2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is WHELSFMZECZNSK-SRZZPIQSSA-M. The full InChI is InChI=1S/C20H16N2O5/c23-17-10-14-6-2-1-5-13(14)9-16(17)20(26)22-21-11-15-7-3-4-8-18(15)27-12-19(24)25/h1-11,23H,12H2,(H,22,26)(H,24,25)/p-1/b21-11+.
What are the key properties of 2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate?
2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 363.35 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 6870474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).