2-[4-[[(2Z)-2-hydroxyiminocyclohexyl]methyl]phenyl]acetic acid

C15H19NO3 — CID 18999590

IUPAC2-[4-[[(2Z)-2-hydroxyiminocyclohexyl]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CC2CCCC/C2=N/O)cc1
InChIInChI=1S/C15H19NO3/c17-15(18)10-12-7-5-11(6-8-12)9-13-3-1-2-4-14(13)16-19/h5-8,13,19H,1-4,9-10H2,(H,17,18)/b16-14-
InChIKeyJXUBTJKWKFRPQY-PEZBUJJGSA-N
MW261.32 g/mol
LogP2.88
Rot. Bonds4

About 2-[4-[[(2Z)-2-hydroxyiminocyclohexyl]methyl]phenyl]acetic acid

2-[4-[[(2Z)-2-hydroxyiminocyclohexyl]methyl]phenyl]acetic acid (PubChem CID 18999590) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[4-[[(2Z)-2-hydroxyiminocyclohexyl]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(2Z)-2-hydroxyiminocyclohexyl]methyl]phenyl]acetic acid
PubChem CID18999590
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[4-[[(2Z)-2-hydroxyiminocyclohexyl]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CC2CCCC/C2=N/O)cc1
InChIInChI=1S/C15H19NO3/c17-15(18)10-12-7-5-11(6-8-12)9-13-3-1-2-4-14(13)16-19/h5-8,13,19H,1-4,9-10H2,(H,17,18)/b16-14-
InChIKeyJXUBTJKWKFRPQY-PEZBUJJGSA-N
XLogP2.88
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 2-[4-[[(2Z)-2-hydroxyiminocyclohexyl]methyl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2Z)-2-hydroxyiminocyclohexyl]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[(2Z)-2-hydroxyiminocyclohexyl]methyl]phenyl]acetic acid (CID 18999590) is 2-[4-[[(2Z)-2-hydroxyiminocyclohexyl]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[(2Z)-2-hydroxyiminocyclohexyl]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[(2Z)-2-hydroxyiminocyclohexyl]methyl]phenyl]acetic acid is O=C(O)Cc1ccc(CC2CCCC/C2=N/O)cc1.
What is the InChIKey of 2-[4-[[(2Z)-2-hydroxyiminocyclohexyl]methyl]phenyl]acetic acid?
The InChIKey is JXUBTJKWKFRPQY-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(18)10-12-7-5-11(6-8-12)9-13-3-1-2-4-14(13)16-19/h5-8,13,19H,1-4,9-10H2,(H,17,18)/b16-14-.
What are the key properties of 2-[4-[[(2Z)-2-hydroxyiminocyclohexyl]methyl]phenyl]acetic acid?
2-[4-[[(2Z)-2-hydroxyiminocyclohexyl]methyl]phenyl]acetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2Z)-2-hydroxyiminocyclohexyl]methyl]phenyl]acetic acid is sourced from PubChem (CID 18999590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).