2-[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid

C22H20N2O6 — CID 4517422

IUPAC2-[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCCOc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OCC(=O)O
InChIInChI=1S/C22H20N2O6/c1-2-29-20-9-14(7-8-19(20)30-13-21(26)27)12-23-24-22(28)17-10-15-5-3-4-6-16(15)11-18(17)25/h3-12,25H,2,13H2,1H3,(H,24,28)(H,26,27)
InChIKeyLYEMUYOZAVSNSB-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.17
Rot. Bonds8

About 2-[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid

2-[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 4517422) has the molecular formula C22H20N2O6 and a molecular weight of 408.41 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID4517422
Molecular FormulaC22H20N2O6
Molecular Weight408.41 g/mol
Exact Mass408.13
IUPAC Name2-[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCCOc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OCC(=O)O
InChIInChI=1S/C22H20N2O6/c1-2-29-20-9-14(7-8-19(20)30-13-21(26)27)12-23-24-22(28)17-10-15-5-3-4-6-16(15)11-18(17)25/h3-12,25H,2,13H2,1H3,(H,24,28)(H,26,27)
InChIKeyLYEMUYOZAVSNSB-UHFFFAOYSA-N
XLogP3.17
TPSA117.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.17
H-Bond Donors ≤ 53
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

2-[5-bromo-2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 3950319
N-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4002606
[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 3128062
3-hydroxy-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6906540
N-[(E)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 6910148
2-[2-(carboxymethoxy)-4-[[(2-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4205853
2-[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2,6-diiodophenoxy]acetic acid
CID 3995928
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6027421
N-[(Z)-(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 9077784
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3915998
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid (CID 4517422) is 2-[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid is CCOc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is LYEMUYOZAVSNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6/c1-2-29-20-9-14(7-8-19(20)30-13-21(26)27)12-23-24-22(28)17-10-15-5-3-4-6-16(15)11-18(17)25/h3-12,25H,2,13H2,1H3,(H,24,28)(H,26,27).
What are the key properties of 2-[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 408.41 g/mol, XLogP of 3.17, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 4517422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).