7-hydroxy-6-[(Z)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one

C14H14O4 — CID 10879399

IUPAC7-hydroxy-6-[(Z)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one
SMILESC/C(=C/Cc1cc2ccc(=O)oc2cc1O)CO
InChIInChI=1S/C14H14O4/c1-9(8-15)2-3-10-6-11-4-5-14(17)18-13(11)7-12(10)16/h2,4-7,15-16H,3,8H2,1H3/b9-2-
InChIKeyJUOLTTLEQHQQED-MBXJOHMKSA-N
MW246.26 g/mol
LogP1.98
Rot. Bonds3

About 7-hydroxy-6-[(Z)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one

7-hydroxy-6-[(Z)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one (PubChem CID 10879399) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 7-hydroxy-6-[(Z)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-6-[(Z)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one
PubChem CID10879399
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name7-hydroxy-6-[(Z)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one
SMILESC/C(=C/Cc1cc2ccc(=O)oc2cc1O)CO
InChIInChI=1S/C14H14O4/c1-9(8-15)2-3-10-6-11-4-5-14(17)18-13(11)7-12(10)16/h2,4-7,15-16H,3,8H2,1H3/b9-2-
InChIKeyJUOLTTLEQHQQED-MBXJOHMKSA-N
XLogP1.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-hydroxy-6-[(Z)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-hydroxy-6-(3-methylbut-2-enyl)chromen-2-one
CID 5316525
6-hydroxy-7-[(E)-4-hydroxy-3-methylbut-2-enoxy]chromen-2-one
CID 102187242
7-methyl-6-(3-methylbut-2-enyl)chromen-2-one
CID 134989730
6,7-dihydroxychromen-2-one
CID 5281416
6,7-dihydroxychromen-2-one;phosphane
CID 175526881
3,6-bis[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one
CID 122362393
6,7-diethylchromen-2-one
CID 90255356
2-[2-oxo-7-(2-oxoethyl)chromen-6-yl]acetaldehyde
CID 71611098
7-ethoxy-6-hydroxychromen-2-one
CID 13031686
4-hydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]benzoic acid
CID 131839381
7-methyl-3-(3-methylbut-2-enyl)chromen-2-one
CID 134990013
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-methylchromen-2-one
CID 134912179

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-[(Z)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one?
The IUPAC name of 7-hydroxy-6-[(Z)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one (CID 10879399) is 7-hydroxy-6-[(Z)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one.
What is the SMILES notation for 7-hydroxy-6-[(Z)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one?
The canonical SMILES for 7-hydroxy-6-[(Z)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one is C/C(=C/Cc1cc2ccc(=O)oc2cc1O)CO.
What is the InChIKey of 7-hydroxy-6-[(Z)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one?
The InChIKey is JUOLTTLEQHQQED-MBXJOHMKSA-N. The full InChI is InChI=1S/C14H14O4/c1-9(8-15)2-3-10-6-11-4-5-14(17)18-13(11)7-12(10)16/h2,4-7,15-16H,3,8H2,1H3/b9-2-.
What are the key properties of 7-hydroxy-6-[(Z)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one?
7-hydroxy-6-[(Z)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one has a molecular weight of 246.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-[(Z)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one is sourced from PubChem (CID 10879399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).