ethane;[(E)-(4-hydroxyphenyl)methylideneamino] 4-methoxybenzoate

C17H19NO4 — CID 143594919

IUPACethane;[(E)-(4-hydroxyphenyl)methylideneamino] 4-methoxybenzoate
SMILESCC.COc1ccc(C(=O)O/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C15H13NO4.C2H6/c1-19-14-8-4-12(5-9-14)15(18)20-16-10-11-2-6-13(17)7-3-11;1-2/h2-10,17H,1H3;1-2H3/b16-10+;
InChIKeyAHAWHHSAJNXPHE-QFHYWFJHSA-N
MW301.34 g/mol
LogP3.62
Rot. Bonds4

About ethane;[(E)-(4-hydroxyphenyl)methylideneamino] 4-methoxybenzoate

ethane;[(E)-(4-hydroxyphenyl)methylideneamino] 4-methoxybenzoate (PubChem CID 143594919) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is ethane;[(E)-(4-hydroxyphenyl)methylideneamino] 4-methoxybenzoate.

Molecular Properties

Compound Nameethane;[(E)-(4-hydroxyphenyl)methylideneamino] 4-methoxybenzoate
PubChem CID143594919
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Nameethane;[(E)-(4-hydroxyphenyl)methylideneamino] 4-methoxybenzoate
SMILESCC.COc1ccc(C(=O)O/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C15H13NO4.C2H6/c1-19-14-8-4-12(5-9-14)15(18)20-16-10-11-2-6-13(17)7-3-11;1-2/h2-10,17H,1H3;1-2H3/b16-10+;
InChIKeyAHAWHHSAJNXPHE-QFHYWFJHSA-N
XLogP3.62
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-benzylideneamino] 4-methoxybenzoate
CID 10634747
[(E)-(4-hydroxyphenyl)methylideneamino] benzoate
CID 135572086
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
[4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate
CID 5415416
[(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate
CID 101383681
[(E)-(4-ethoxyphenyl)methylideneamino] 4-chlorobenzoate
CID 6873737
[(E)-(4-methylphenyl)methylideneamino] 4-chlorobenzoate
CID 6894030
4-O-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylideneamino] 1-O-methyl benzene-1,4-dicarboxylate
CID 140526727
(4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate
CID 102302326
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 5416155
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640

Frequently Asked Questions

What is the IUPAC name of ethane;[(E)-(4-hydroxyphenyl)methylideneamino] 4-methoxybenzoate?
The IUPAC name of ethane;[(E)-(4-hydroxyphenyl)methylideneamino] 4-methoxybenzoate (CID 143594919) is ethane;[(E)-(4-hydroxyphenyl)methylideneamino] 4-methoxybenzoate.
What is the SMILES notation for ethane;[(E)-(4-hydroxyphenyl)methylideneamino] 4-methoxybenzoate?
The canonical SMILES for ethane;[(E)-(4-hydroxyphenyl)methylideneamino] 4-methoxybenzoate is CC.COc1ccc(C(=O)O/N=C/c2ccc(O)cc2)cc1.
What is the InChIKey of ethane;[(E)-(4-hydroxyphenyl)methylideneamino] 4-methoxybenzoate?
The InChIKey is AHAWHHSAJNXPHE-QFHYWFJHSA-N. The full InChI is InChI=1S/C15H13NO4.C2H6/c1-19-14-8-4-12(5-9-14)15(18)20-16-10-11-2-6-13(17)7-3-11;1-2/h2-10,17H,1H3;1-2H3/b16-10+;.
What are the key properties of ethane;[(E)-(4-hydroxyphenyl)methylideneamino] 4-methoxybenzoate?
ethane;[(E)-(4-hydroxyphenyl)methylideneamino] 4-methoxybenzoate has a molecular weight of 301.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(E)-(4-hydroxyphenyl)methylideneamino] 4-methoxybenzoate is sourced from PubChem (CID 143594919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).