4-[(2Z)-2-[(4-methoxy-3-propoxyphenyl)methylidene]hydrazinyl]benzoic acid

C18H20N2O4 — CID 9012910

IUPAC4-[(2Z)-2-[(4-methoxy-3-propoxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESCCCOc1cc(/C=N\Nc2ccc(C(=O)O)cc2)ccc1OC
InChIInChI=1S/C18H20N2O4/c1-3-10-24-17-11-13(4-9-16(17)23-2)12-19-20-15-7-5-14(6-8-15)18(21)22/h4-9,11-12,20H,3,10H2,1-2H3,(H,21,22)/b19-12-
InChIKeyFHYWZSYSFWIWOZ-UNOMPAQXSA-N
MW328.37 g/mol
LogP3.63
Rot. Bonds8

About 4-[(2Z)-2-[(4-methoxy-3-propoxyphenyl)methylidene]hydrazinyl]benzoic acid

4-[(2Z)-2-[(4-methoxy-3-propoxyphenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 9012910) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[(2Z)-2-[(4-methoxy-3-propoxyphenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[(2Z)-2-[(4-methoxy-3-propoxyphenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID9012910
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name4-[(2Z)-2-[(4-methoxy-3-propoxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESCCCOc1cc(/C=N\Nc2ccc(C(=O)O)cc2)ccc1OC
InChIInChI=1S/C18H20N2O4/c1-3-10-24-17-11-13(4-9-16(17)23-2)12-19-20-15-7-5-14(6-8-15)18(21)22/h4-9,11-12,20H,3,10H2,1-2H3,(H,21,22)/b19-12-
InChIKeyFHYWZSYSFWIWOZ-UNOMPAQXSA-N
XLogP3.63
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110337885
N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-nitroaniline
CID 110506441
4-[(2Z)-2-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 7369465
N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline
CID 169382210
4-[[2-ethoxy-4-[(E)-[(3-methoxy-4-propoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126331066
4-[(2E)-2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 45466645
3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126324922
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126326152
4-[(2Z)-2-[[4-(2-amino-2-oxoethoxy)-3-iodo-5-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 6151354
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658847
4-[[4-[(E)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid
CID 19656131
3-[2-[(3-iodo-5-methoxy-4-propoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 26869696

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[(4-methoxy-3-propoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[(2Z)-2-[(4-methoxy-3-propoxyphenyl)methylidene]hydrazinyl]benzoic acid (CID 9012910) is 4-[(2Z)-2-[(4-methoxy-3-propoxyphenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[(2Z)-2-[(4-methoxy-3-propoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[(2Z)-2-[(4-methoxy-3-propoxyphenyl)methylidene]hydrazinyl]benzoic acid is CCCOc1cc(/C=N\Nc2ccc(C(=O)O)cc2)ccc1OC.
What is the InChIKey of 4-[(2Z)-2-[(4-methoxy-3-propoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is FHYWZSYSFWIWOZ-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-10-24-17-11-13(4-9-16(17)23-2)12-19-20-15-7-5-14(6-8-15)18(21)22/h4-9,11-12,20H,3,10H2,1-2H3,(H,21,22)/b19-12-.
What are the key properties of 4-[(2Z)-2-[(4-methoxy-3-propoxyphenyl)methylidene]hydrazinyl]benzoic acid?
4-[(2Z)-2-[(4-methoxy-3-propoxyphenyl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 328.37 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[(4-methoxy-3-propoxyphenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 9012910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).