6-(2,6-dimethylocta-2,6-dien-4-yloxy)furo[3,2-g]chromen-7-one

C21H22O4 — CID 54222373

IUPAC6-(2,6-dimethylocta-2,6-dien-4-yloxy)furo[3,2-g]chromen-7-one
SMILESCC=C(C)CC(C=C(C)C)Oc1cc2cc3ccoc3cc2oc1=O
InChIInChI=1S/C21H22O4/c1-5-14(4)9-17(8-13(2)3)24-20-11-16-10-15-6-7-23-18(15)12-19(16)25-21(20)22/h5-8,10-12,17H,9H2,1-4H3
InChIKeyQDMKAERJTVXQSY-UHFFFAOYSA-N
MW338.40 g/mol
LogP5.61
Rot. Bonds5

About 6-(2,6-dimethylocta-2,6-dien-4-yloxy)furo[3,2-g]chromen-7-one

6-(2,6-dimethylocta-2,6-dien-4-yloxy)furo[3,2-g]chromen-7-one (PubChem CID 54222373) has the molecular formula C21H22O4 and a molecular weight of 338.40 g/mol. Its IUPAC name is 6-(2,6-dimethylocta-2,6-dien-4-yloxy)furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name6-(2,6-dimethylocta-2,6-dien-4-yloxy)furo[3,2-g]chromen-7-one
PubChem CID54222373
Molecular FormulaC21H22O4
Molecular Weight338.40 g/mol
Exact Mass338.15
IUPAC Name6-(2,6-dimethylocta-2,6-dien-4-yloxy)furo[3,2-g]chromen-7-one
SMILESCC=C(C)CC(C=C(C)C)Oc1cc2cc3ccoc3cc2oc1=O
InChIInChI=1S/C21H22O4/c1-5-14(4)9-17(8-13(2)3)24-20-11-16-10-15-6-7-23-18(15)12-19(16)25-21(20)22/h5-8,10-12,17H,9H2,1-4H3
InChIKeyQDMKAERJTVXQSY-UHFFFAOYSA-N
XLogP5.61
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.40
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(2,6-dimethylocta-2,6-dien-4-yloxy)furo[3,2-g]chromen-7-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

2-(7-oxofuro[3,2-g]chromen-6-yl)acetic acid
CID 86137784
4-methoxy-9-[(7-oxofuro[3,2-g]chromen-6-yl)oxymethyl]furo[3,2-g]chromen-7-one
CID 54448545
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
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
3-(1-bromopropan-2-yloxy)chromen-2-one
CID 141445966
[7-(diethylamino)-2-oxochromen-3-yl] 2-methylbut-2-enoate
CID 175352298
(7-amino-2-oxochromen-3-yl) acetate
CID 141051304
(7-chloro-2-oxochromen-3-yl) acetate
CID 118378743
6-hydroxy-7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
CID 163189235
6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene
CID 145018031

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylocta-2,6-dien-4-yloxy)furo[3,2-g]chromen-7-one?
The IUPAC name of 6-(2,6-dimethylocta-2,6-dien-4-yloxy)furo[3,2-g]chromen-7-one (CID 54222373) is 6-(2,6-dimethylocta-2,6-dien-4-yloxy)furo[3,2-g]chromen-7-one.
What is the SMILES notation for 6-(2,6-dimethylocta-2,6-dien-4-yloxy)furo[3,2-g]chromen-7-one?
The canonical SMILES for 6-(2,6-dimethylocta-2,6-dien-4-yloxy)furo[3,2-g]chromen-7-one is CC=C(C)CC(C=C(C)C)Oc1cc2cc3ccoc3cc2oc1=O.
What is the InChIKey of 6-(2,6-dimethylocta-2,6-dien-4-yloxy)furo[3,2-g]chromen-7-one?
The InChIKey is QDMKAERJTVXQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O4/c1-5-14(4)9-17(8-13(2)3)24-20-11-16-10-15-6-7-23-18(15)12-19(16)25-21(20)22/h5-8,10-12,17H,9H2,1-4H3.
What are the key properties of 6-(2,6-dimethylocta-2,6-dien-4-yloxy)furo[3,2-g]chromen-7-one?
6-(2,6-dimethylocta-2,6-dien-4-yloxy)furo[3,2-g]chromen-7-one has a molecular weight of 338.40 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylocta-2,6-dien-4-yloxy)furo[3,2-g]chromen-7-one is sourced from PubChem (CID 54222373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).