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

C15H21NO3 — CID 135434178

IUPAC(4Z)-4-hydroxyimino-2-methyl-2-pentyl-3H-chromen-7-ol
SMILESCCCCCC1(C)C/C(=N/O)c2ccc(O)cc2O1
InChIInChI=1S/C15H21NO3/c1-3-4-5-8-15(2)10-13(16-18)12-7-6-11(17)9-14(12)19-15/h6-7,9,17-18H,3-5,8,10H2,1-2H3/b16-13-
InChIKeyOUGSIQMWBKBKMT-SSZFMOIBSA-N
MW263.34 g/mol
LogP3.69
Rot. Bonds4

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

(4Z)-4-hydroxyimino-2-methyl-2-pentyl-3H-chromen-7-ol (PubChem CID 135434178) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (4Z)-4-hydroxyimino-2-methyl-2-pentyl-3H-chromen-7-ol.

Molecular Properties

Compound Name(4Z)-4-hydroxyimino-2-methyl-2-pentyl-3H-chromen-7-ol
PubChem CID135434178
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(4Z)-4-hydroxyimino-2-methyl-2-pentyl-3H-chromen-7-ol
SMILESCCCCCC1(C)C/C(=N/O)c2ccc(O)cc2O1
InChIInChI=1S/C15H21NO3/c1-3-4-5-8-15(2)10-13(16-18)12-7-6-11(17)9-14(12)19-15/h6-7,9,17-18H,3-5,8,10H2,1-2H3/b16-13-
InChIKeyOUGSIQMWBKBKMT-SSZFMOIBSA-N
XLogP3.69
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.69
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'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-hydroxyimino-2-methyl-2-pentyl-3H-chromen-7-ol?
The IUPAC name of (4Z)-4-hydroxyimino-2-methyl-2-pentyl-3H-chromen-7-ol (CID 135434178) is (4Z)-4-hydroxyimino-2-methyl-2-pentyl-3H-chromen-7-ol.
What is the SMILES notation for (4Z)-4-hydroxyimino-2-methyl-2-pentyl-3H-chromen-7-ol?
The canonical SMILES for (4Z)-4-hydroxyimino-2-methyl-2-pentyl-3H-chromen-7-ol is CCCCCC1(C)C/C(=N/O)c2ccc(O)cc2O1.
What is the InChIKey of (4Z)-4-hydroxyimino-2-methyl-2-pentyl-3H-chromen-7-ol?
The InChIKey is OUGSIQMWBKBKMT-SSZFMOIBSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-4-5-8-15(2)10-13(16-18)12-7-6-11(17)9-14(12)19-15/h6-7,9,17-18H,3-5,8,10H2,1-2H3/b16-13-.
What are the key properties of (4Z)-4-hydroxyimino-2-methyl-2-pentyl-3H-chromen-7-ol?
(4Z)-4-hydroxyimino-2-methyl-2-pentyl-3H-chromen-7-ol has a molecular weight of 263.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-hydroxyimino-2-methyl-2-pentyl-3H-chromen-7-ol is sourced from PubChem (CID 135434178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).