6-hydroxy-7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one

C19H22O5 — CID 163189235

IUPAC6-hydroxy-7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
SMILESCC(C)=C[C@H](O)C/C(C)=C/COc1cc2oc(=O)ccc2cc1O
InChIInChI=1S/C19H22O5/c1-12(2)8-15(20)9-13(3)6-7-23-18-11-17-14(10-16(18)21)4-5-19(22)24-17/h4-6,8,10-11,15,20-21H,7,9H2,1-3H3/b13-6+/t15-/m0/s1
InChIKeyRAMCPIBPYJZTNE-NNSJBKGDSA-N
MW330.38 g/mol
LogP3.54
Rot. Bonds6

About 6-hydroxy-7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one

6-hydroxy-7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one (PubChem CID 163189235) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 6-hydroxy-7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one.

Molecular Properties

Compound Name6-hydroxy-7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
PubChem CID163189235
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name6-hydroxy-7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
SMILESCC(C)=C[C@H](O)C/C(C)=C/COc1cc2oc(=O)ccc2cc1O
InChIInChI=1S/C19H22O5/c1-12(2)8-15(20)9-13(3)6-7-23-18-11-17-14(10-16(18)21)4-5-19(22)24-17/h4-6,8,10-11,15,20-21H,7,9H2,1-3H3/b13-6+/t15-/m0/s1
InChIKeyRAMCPIBPYJZTNE-NNSJBKGDSA-N
XLogP3.54
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-hydroxy-7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]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

6-hydroxy-7-[(E)-4-hydroxy-3-methylbut-2-enoxy]chromen-2-one
CID 102187242
7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-8-methoxychromen-2-one
CID 162883491
7-[(5S,6E)-5-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one
CID 162860604
7-(5-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy)chromen-2-one
CID 73081509
7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-5-methoxychromen-2-one
CID 177433306
[9-hydroxy-3,7,11-trimethyl-1-(2-oxochromen-7-yl)oxydodeca-2,6,10-trien-4-yl] acetate
CID 162899560
7-ethoxy-6-hydroxychromen-2-one
CID 13031686
6-hydroxy-7-propoxychromen-2-one
CID 101030918
7-(2-bromobutoxy)-6-hydroxychromen-2-one
CID 86272571
7-(2-fluoro-2-methylpropoxy)-6-hydroxychromen-2-one
CID 86273030
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one;7-(3-methylbut-2-enoxy)chromen-2-one
CID 145196276
5-[(E,6S)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-7-hydroxychromen-2-one
CID 162997795

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one?
The IUPAC name of 6-hydroxy-7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one (CID 163189235) is 6-hydroxy-7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one.
What is the SMILES notation for 6-hydroxy-7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one?
The canonical SMILES for 6-hydroxy-7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one is CC(C)=C[C@H](O)C/C(C)=C/COc1cc2oc(=O)ccc2cc1O.
What is the InChIKey of 6-hydroxy-7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one?
The InChIKey is RAMCPIBPYJZTNE-NNSJBKGDSA-N. The full InChI is InChI=1S/C19H22O5/c1-12(2)8-15(20)9-13(3)6-7-23-18-11-17-14(10-16(18)21)4-5-19(22)24-17/h4-6,8,10-11,15,20-21H,7,9H2,1-3H3/b13-6+/t15-/m0/s1.
What are the key properties of 6-hydroxy-7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one?
6-hydroxy-7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one has a molecular weight of 330.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one is sourced from PubChem (CID 163189235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).