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

C20H24O5 — CID 177433306

IUPAC7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-5-methoxychromen-2-one
SMILESCOc1cc(OC/C=C(\C)CC(O)C=C(C)C)cc2oc(=O)ccc12
InChIInChI=1S/C20H24O5/c1-13(2)9-15(21)10-14(3)7-8-24-16-11-18(23-4)17-5-6-20(22)25-19(17)12-16/h5-7,9,11-12,15,21H,8,10H2,1-4H3/b14-7+
InChIKeyWEXUYXARVZLNHU-VGOFMYFVSA-N
MW344.41 g/mol
LogP3.84
Rot. Bonds7

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

7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-5-methoxychromen-2-one (PubChem CID 177433306) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is 7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-5-methoxychromen-2-one.

Molecular Properties

Compound Name7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-5-methoxychromen-2-one
PubChem CID177433306
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-5-methoxychromen-2-one
SMILESCOc1cc(OC/C=C(\C)CC(O)C=C(C)C)cc2oc(=O)ccc12
InChIInChI=1S/C20H24O5/c1-13(2)9-15(21)10-14(3)7-8-24-16-11-18(23-4)17-5-6-20(22)25-19(17)12-16/h5-7,9,11-12,15,21H,8,10H2,1-4H3/b14-7+
InChIKeyWEXUYXARVZLNHU-VGOFMYFVSA-N
XLogP3.84
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-5-methoxychromen-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-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
CID 163189235
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
[9-hydroxy-3,7,11-trimethyl-1-(2-oxochromen-7-yl)oxydodeca-2,6,10-trien-4-yl] acetate
CID 162899560
[7-[(2E,6E,9S,10R)-9,10-diacetyloxy-11-hydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]-2-oxochromen-5-yl] acetate
CID 162933728
4-[(2E,5S)-3,5,7-trimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
CID 162824890
4-(3,5,7-trimethylocta-2,6-dienoxy)furo[3,2-g]chromen-7-one
CID 162824889
4-[(3E)-6-hydroxy-4,8-dimethylnona-3,7-dienyl]furo[3,2-g]chromen-7-one
CID 71307568
5-[(E,6S)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-7-hydroxychromen-2-one
CID 162997795
4-[(2E,5S)-5-ethoxy-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
CID 162906112
[(6E)-2,6-dimethyl-8-(7-oxofuro[3,2-g]chromen-4-yl)oxyocta-2,6-dien-4-yl] acetate
CID 45479858

Frequently Asked Questions

What is the IUPAC name of 7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-5-methoxychromen-2-one?
The IUPAC name of 7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-5-methoxychromen-2-one (CID 177433306) is 7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-5-methoxychromen-2-one.
What is the SMILES notation for 7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-5-methoxychromen-2-one?
The canonical SMILES for 7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-5-methoxychromen-2-one is COc1cc(OC/C=C(\C)CC(O)C=C(C)C)cc2oc(=O)ccc12.
What is the InChIKey of 7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-5-methoxychromen-2-one?
The InChIKey is WEXUYXARVZLNHU-VGOFMYFVSA-N. The full InChI is InChI=1S/C20H24O5/c1-13(2)9-15(21)10-14(3)7-8-24-16-11-18(23-4)17-5-6-20(22)25-19(17)12-16/h5-7,9,11-12,15,21H,8,10H2,1-4H3/b14-7+.
What are the key properties of 7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-5-methoxychromen-2-one?
7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-5-methoxychromen-2-one has a molecular weight of 344.41 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-5-methoxychromen-2-one is sourced from PubChem (CID 177433306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).