(4Z)-2-heptyl-4-hydroxyimino-2-methyl-3H-chromen-7-ol

C17H25NO3 — CID 135434179

IUPAC(4Z)-2-heptyl-4-hydroxyimino-2-methyl-3H-chromen-7-ol
SMILESCCCCCCCC1(C)C/C(=N/O)c2ccc(O)cc2O1
InChIInChI=1S/C17H25NO3/c1-3-4-5-6-7-10-17(2)12-15(18-20)14-9-8-13(19)11-16(14)21-17/h8-9,11,19-20H,3-7,10,12H2,1-2H3/b18-15-
InChIKeyQGIDVCWTIKGSJW-SDXDJHTJSA-N
MW291.39 g/mol
LogP4.47
Rot. Bonds6

About (4Z)-2-heptyl-4-hydroxyimino-2-methyl-3H-chromen-7-ol

(4Z)-2-heptyl-4-hydroxyimino-2-methyl-3H-chromen-7-ol (PubChem CID 135434179) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (4Z)-2-heptyl-4-hydroxyimino-2-methyl-3H-chromen-7-ol.

Molecular Properties

Compound Name(4Z)-2-heptyl-4-hydroxyimino-2-methyl-3H-chromen-7-ol
PubChem CID135434179
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(4Z)-2-heptyl-4-hydroxyimino-2-methyl-3H-chromen-7-ol
SMILESCCCCCCCC1(C)C/C(=N/O)c2ccc(O)cc2O1
InChIInChI=1S/C17H25NO3/c1-3-4-5-6-7-10-17(2)12-15(18-20)14-9-8-13(19)11-16(14)21-17/h8-9,11,19-20H,3-7,10,12H2,1-2H3/b18-15-
InChIKeyQGIDVCWTIKGSJW-SDXDJHTJSA-N
XLogP4.47
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4Z)-2-heptyl-4-hydroxyimino-2-methyl-3H-chromen-7-ol 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 (4Z)-2-heptyl-4-hydroxyimino-2-methyl-3H-chromen-7-ol?
The IUPAC name of (4Z)-2-heptyl-4-hydroxyimino-2-methyl-3H-chromen-7-ol (CID 135434179) is (4Z)-2-heptyl-4-hydroxyimino-2-methyl-3H-chromen-7-ol.
What is the SMILES notation for (4Z)-2-heptyl-4-hydroxyimino-2-methyl-3H-chromen-7-ol?
The canonical SMILES for (4Z)-2-heptyl-4-hydroxyimino-2-methyl-3H-chromen-7-ol is CCCCCCCC1(C)C/C(=N/O)c2ccc(O)cc2O1.
What is the InChIKey of (4Z)-2-heptyl-4-hydroxyimino-2-methyl-3H-chromen-7-ol?
The InChIKey is QGIDVCWTIKGSJW-SDXDJHTJSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-4-5-6-7-10-17(2)12-15(18-20)14-9-8-13(19)11-16(14)21-17/h8-9,11,19-20H,3-7,10,12H2,1-2H3/b18-15-.
What are the key properties of (4Z)-2-heptyl-4-hydroxyimino-2-methyl-3H-chromen-7-ol?
(4Z)-2-heptyl-4-hydroxyimino-2-methyl-3H-chromen-7-ol has a molecular weight of 291.39 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-heptyl-4-hydroxyimino-2-methyl-3H-chromen-7-ol is sourced from PubChem (CID 135434179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).