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

C16H21NO3 — CID 135434180

IUPAC(4Z)-4-hydroxyimino-2-methyl-2-(4-methylpent-3-enyl)-3H-chromen-7-ol
SMILESCC(C)=CCCC1(C)C/C(=N/O)c2ccc(O)cc2O1
InChIInChI=1S/C16H21NO3/c1-11(2)5-4-8-16(3)10-14(17-19)13-7-6-12(18)9-15(13)20-16/h5-7,9,18-19H,4,8,10H2,1-3H3/b17-14-
InChIKeyLKSUZHORLKBMJC-VKAVYKQESA-N
MW275.35 g/mol
LogP3.86
Rot. Bonds3

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

(4Z)-4-hydroxyimino-2-methyl-2-(4-methylpent-3-enyl)-3H-chromen-7-ol (PubChem CID 135434180) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (4Z)-4-hydroxyimino-2-methyl-2-(4-methylpent-3-enyl)-3H-chromen-7-ol.

Molecular Properties

Compound Name(4Z)-4-hydroxyimino-2-methyl-2-(4-methylpent-3-enyl)-3H-chromen-7-ol
PubChem CID135434180
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(4Z)-4-hydroxyimino-2-methyl-2-(4-methylpent-3-enyl)-3H-chromen-7-ol
SMILESCC(C)=CCCC1(C)C/C(=N/O)c2ccc(O)cc2O1
InChIInChI=1S/C16H21NO3/c1-11(2)5-4-8-16(3)10-14(17-19)13-7-6-12(18)9-15(13)20-16/h5-7,9,18-19H,4,8,10H2,1-3H3/b17-14-
InChIKeyLKSUZHORLKBMJC-VKAVYKQESA-N
XLogP3.86
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(4-methylpent-3-enyl)-3H-chromen-7-ol?
The IUPAC name of (4Z)-4-hydroxyimino-2-methyl-2-(4-methylpent-3-enyl)-3H-chromen-7-ol (CID 135434180) is (4Z)-4-hydroxyimino-2-methyl-2-(4-methylpent-3-enyl)-3H-chromen-7-ol.
What is the SMILES notation for (4Z)-4-hydroxyimino-2-methyl-2-(4-methylpent-3-enyl)-3H-chromen-7-ol?
The canonical SMILES for (4Z)-4-hydroxyimino-2-methyl-2-(4-methylpent-3-enyl)-3H-chromen-7-ol is CC(C)=CCCC1(C)C/C(=N/O)c2ccc(O)cc2O1.
What is the InChIKey of (4Z)-4-hydroxyimino-2-methyl-2-(4-methylpent-3-enyl)-3H-chromen-7-ol?
The InChIKey is LKSUZHORLKBMJC-VKAVYKQESA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(2)5-4-8-16(3)10-14(17-19)13-7-6-12(18)9-15(13)20-16/h5-7,9,18-19H,4,8,10H2,1-3H3/b17-14-.
What are the key properties of (4Z)-4-hydroxyimino-2-methyl-2-(4-methylpent-3-enyl)-3H-chromen-7-ol?
(4Z)-4-hydroxyimino-2-methyl-2-(4-methylpent-3-enyl)-3H-chromen-7-ol has a molecular weight of 275.35 g/mol, XLogP of 3.86, 3 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-(4-methylpent-3-enyl)-3H-chromen-7-ol is sourced from PubChem (CID 135434180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).