4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol

C16H14N2O2 — CID 11715928

IUPAC4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol
SMILESCc1c(/C=N/O)c2ccccc2n1-c1ccc(O)cc1
InChIInChI=1S/C16H14N2O2/c1-11-15(10-17-20)14-4-2-3-5-16(14)18(11)12-6-8-13(19)9-7-12/h2-10,19-20H,1H3/b17-10+
InChIKeyPQIQARAJQAUHED-LICLKQGHSA-N
MW266.30 g/mol
LogP3.45
Rot. Bonds2

About 4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol

4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol (PubChem CID 11715928) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol.

Molecular Properties

Compound Name4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol
PubChem CID11715928
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol
SMILESCc1c(/C=N/O)c2ccccc2n1-c1ccc(O)cc1
InChIInChI=1S/C16H14N2O2/c1-11-15(10-17-20)14-4-2-3-5-16(14)18(11)12-6-8-13(19)9-7-12/h2-10,19-20H,1H3/b17-10+
InChIKeyPQIQARAJQAUHED-LICLKQGHSA-N
XLogP3.45
TPSA57.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.45
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 4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol?
The IUPAC name of 4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol (CID 11715928) is 4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol.
What is the SMILES notation for 4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol?
The canonical SMILES for 4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol is Cc1c(/C=N/O)c2ccccc2n1-c1ccc(O)cc1.
What is the InChIKey of 4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol?
The InChIKey is PQIQARAJQAUHED-LICLKQGHSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-15(10-17-20)14-4-2-3-5-16(14)18(11)12-6-8-13(19)9-7-12/h2-10,19-20H,1H3/b17-10+.
What are the key properties of 4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol?
4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol has a molecular weight of 266.30 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol is sourced from PubChem (CID 11715928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).