[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenyl] benzoate

C22H18N2O4 — CID 22300297

IUPAC[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenyl] benzoate
SMILESCOc1ccc(C(=O)/C(=N/N)c2ccc(OC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H18N2O4/c1-27-18-11-9-16(10-12-18)21(25)20(24-23)15-7-13-19(14-8-15)28-22(26)17-5-3-2-4-6-17/h2-14H,23H2,1H3/b24-20+
InChIKeyBMVUPCZRXFBEED-HIXSDJFHSA-N
MW374.40 g/mol
LogP3.46
Rot. Bonds6

About [4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenyl] benzoate

[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenyl] benzoate (PubChem CID 22300297) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenyl] benzoate.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenyl] benzoate
PubChem CID22300297
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenyl] benzoate
SMILESCOc1ccc(C(=O)/C(=N/N)c2ccc(OC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H18N2O4/c1-27-18-11-9-16(10-12-18)21(25)20(24-23)15-7-13-19(14-8-15)28-22(26)17-5-3-2-4-6-17/h2-14H,23H2,1H3/b24-20+
InChIKeyBMVUPCZRXFBEED-HIXSDJFHSA-N
XLogP3.46
TPSA90.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 144750294
[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethanehydrazonoyl]phenyl] benzoate
CID 22300327
[[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate
CID 72596234
methyl 2-[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenoxy]acetate
CID 20843625
1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one
CID 173327483
1-(4-aminophenyl)-2-hydrazinylidene-2-phenylethanone
CID 173282909
diphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate
CID 144750320
2-(4-chlorophenyl)-2-hydrazinylidene-1-phenylethanone
CID 154386910
[4-(3-morpholin-4-yl-2-oxopropanehydrazonoyl)phenyl] benzoate
CID 20845203
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
2-methoxyethyl 4-benzoyloxybenzoate
CID 17162027

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenyl] benzoate?
The IUPAC name of [4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenyl] benzoate (CID 22300297) is [4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenyl] benzoate.
What is the SMILES notation for [4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenyl] benzoate?
The canonical SMILES for [4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenyl] benzoate is COc1ccc(C(=O)/C(=N/N)c2ccc(OC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenyl] benzoate?
The InChIKey is BMVUPCZRXFBEED-HIXSDJFHSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-27-18-11-9-16(10-12-18)21(25)20(24-23)15-7-13-19(14-8-15)28-22(26)17-5-3-2-4-6-17/h2-14H,23H2,1H3/b24-20+.
What are the key properties of [4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenyl] benzoate?
[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenyl] benzoate has a molecular weight of 374.40 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenyl] benzoate is sourced from PubChem (CID 22300297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).