(4Z)-4-hydroxyimino-2,6-dimethyl-3H-chromen-2-ol

C11H13NO3 — CID 135249338

IUPAC(4Z)-4-hydroxyimino-2,6-dimethyl-3H-chromen-2-ol
SMILESCc1ccc2c(c1)/C(=N\O)CC(C)(O)O2
InChIInChI=1S/C11H13NO3/c1-7-3-4-10-8(5-7)9(12-14)6-11(2,13)15-10/h3-5,13-14H,6H2,1-2H3/b12-9-
InChIKeyKPDSVICONVHQNF-XFXZXTDPSA-N
MW207.23 g/mol
LogP1.66
Rot. Bonds

About (4Z)-4-hydroxyimino-2,6-dimethyl-3H-chromen-2-ol

(4Z)-4-hydroxyimino-2,6-dimethyl-3H-chromen-2-ol (PubChem CID 135249338) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (4Z)-4-hydroxyimino-2,6-dimethyl-3H-chromen-2-ol.

Molecular Properties

Compound Name(4Z)-4-hydroxyimino-2,6-dimethyl-3H-chromen-2-ol
PubChem CID135249338
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(4Z)-4-hydroxyimino-2,6-dimethyl-3H-chromen-2-ol
SMILESCc1ccc2c(c1)/C(=N\O)CC(C)(O)O2
InChIInChI=1S/C11H13NO3/c1-7-3-4-10-8(5-7)9(12-14)6-11(2,13)15-10/h3-5,13-14H,6H2,1-2H3/b12-9-
InChIKeyKPDSVICONVHQNF-XFXZXTDPSA-N
XLogP1.66
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.66
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 (4Z)-4-hydroxyimino-2,6-dimethyl-3H-chromen-2-ol?
The IUPAC name of (4Z)-4-hydroxyimino-2,6-dimethyl-3H-chromen-2-ol (CID 135249338) is (4Z)-4-hydroxyimino-2,6-dimethyl-3H-chromen-2-ol.
What is the SMILES notation for (4Z)-4-hydroxyimino-2,6-dimethyl-3H-chromen-2-ol?
The canonical SMILES for (4Z)-4-hydroxyimino-2,6-dimethyl-3H-chromen-2-ol is Cc1ccc2c(c1)/C(=N\O)CC(C)(O)O2.
What is the InChIKey of (4Z)-4-hydroxyimino-2,6-dimethyl-3H-chromen-2-ol?
The InChIKey is KPDSVICONVHQNF-XFXZXTDPSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-3-4-10-8(5-7)9(12-14)6-11(2,13)15-10/h3-5,13-14H,6H2,1-2H3/b12-9-.
What are the key properties of (4Z)-4-hydroxyimino-2,6-dimethyl-3H-chromen-2-ol?
(4Z)-4-hydroxyimino-2,6-dimethyl-3H-chromen-2-ol has a molecular weight of 207.23 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-hydroxyimino-2,6-dimethyl-3H-chromen-2-ol is sourced from PubChem (CID 135249338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).