2-[(E)-hydroxyiminomethyl]-5-(4-methoxyphenyl)phenol

C14H13NO3 — CID 135620550

IUPAC2-[(E)-hydroxyiminomethyl]-5-(4-methoxyphenyl)phenol
SMILESCOc1ccc(-c2ccc(/C=N/O)c(O)c2)cc1
InChIInChI=1S/C14H13NO3/c1-18-13-6-4-10(5-7-13)11-2-3-12(9-15-17)14(16)8-11/h2-9,16-17H,1H3/b15-9+
InChIKeyPIMHSZXJYJIXNF-OQLLNIDSSA-N
MW243.26 g/mol
LogP2.88
Rot. Bonds3

About 2-[(E)-hydroxyiminomethyl]-5-(4-methoxyphenyl)phenol

2-[(E)-hydroxyiminomethyl]-5-(4-methoxyphenyl)phenol (PubChem CID 135620550) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[(E)-hydroxyiminomethyl]-5-(4-methoxyphenyl)phenol.

Molecular Properties

Compound Name2-[(E)-hydroxyiminomethyl]-5-(4-methoxyphenyl)phenol
PubChem CID135620550
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-[(E)-hydroxyiminomethyl]-5-(4-methoxyphenyl)phenol
SMILESCOc1ccc(-c2ccc(/C=N/O)c(O)c2)cc1
InChIInChI=1S/C14H13NO3/c1-18-13-6-4-10(5-7-13)11-2-3-12(9-15-17)14(16)8-11/h2-9,16-17H,1H3/b15-9+
InChIKeyPIMHSZXJYJIXNF-OQLLNIDSSA-N
XLogP2.88
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hydroxyiminomethyl]-5-(4-methoxyphenyl)phenol?
The IUPAC name of 2-[(E)-hydroxyiminomethyl]-5-(4-methoxyphenyl)phenol (CID 135620550) is 2-[(E)-hydroxyiminomethyl]-5-(4-methoxyphenyl)phenol.
What is the SMILES notation for 2-[(E)-hydroxyiminomethyl]-5-(4-methoxyphenyl)phenol?
The canonical SMILES for 2-[(E)-hydroxyiminomethyl]-5-(4-methoxyphenyl)phenol is COc1ccc(-c2ccc(/C=N/O)c(O)c2)cc1.
What is the InChIKey of 2-[(E)-hydroxyiminomethyl]-5-(4-methoxyphenyl)phenol?
The InChIKey is PIMHSZXJYJIXNF-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-13-6-4-10(5-7-13)11-2-3-12(9-15-17)14(16)8-11/h2-9,16-17H,1H3/b15-9+.
What are the key properties of 2-[(E)-hydroxyiminomethyl]-5-(4-methoxyphenyl)phenol?
2-[(E)-hydroxyiminomethyl]-5-(4-methoxyphenyl)phenol has a molecular weight of 243.26 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hydroxyiminomethyl]-5-(4-methoxyphenyl)phenol is sourced from PubChem (CID 135620550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).