4-prop-2-enyl-5-[(4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-yl)oxy]-2,3-dihydro-1-benzofuran

C22H22O3 — CID 66780375

IUPAC4-prop-2-enyl-5-[(4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-yl)oxy]-2,3-dihydro-1-benzofuran
SMILESC=CCc1c(Oc2ccc3c(c2CC=C)CCO3)ccc2c1CCO2
InChIInChI=1S/C22H22O3/c1-3-5-15-17-11-13-23-19(17)7-9-21(15)25-22-10-8-20-18(12-14-24-20)16(22)6-4-2/h3-4,7-10H,1-2,5-6,11-14H2
InChIKeyCOJNKRWDZWDWCZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.81
Rot. Bonds6

About 4-prop-2-enyl-5-[(4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-yl)oxy]-2,3-dihydro-1-benzofuran

4-prop-2-enyl-5-[(4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-yl)oxy]-2,3-dihydro-1-benzofuran (PubChem CID 66780375) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-prop-2-enyl-5-[(4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-yl)oxy]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name4-prop-2-enyl-5-[(4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-yl)oxy]-2,3-dihydro-1-benzofuran
PubChem CID66780375
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name4-prop-2-enyl-5-[(4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-yl)oxy]-2,3-dihydro-1-benzofuran
SMILESC=CCc1c(Oc2ccc3c(c2CC=C)CCO3)ccc2c1CCO2
InChIInChI=1S/C22H22O3/c1-3-5-15-17-11-13-23-19(17)7-9-21(15)25-22-10-8-20-18(12-14-24-20)16(22)6-4-2/h3-4,7-10H,1-2,5-6,11-14H2
InChIKeyCOJNKRWDZWDWCZ-UHFFFAOYSA-N
XLogP4.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-prop-2-enyl-2,3-dihydro-1-benzofuran
CID 67079342
4-(6-methylheptyl)-5-[[4-(6-methylheptyl)-2,3-dihydro-1-benzofuran-5-yl]oxy]-2,3-dihydro-1-benzofuran
CID 67048538
azane;7-prop-2-enyl-4-[(7-prop-2-enyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-2,3-dihydro-1-benzofuran;sulfuric acid
CID 173246286
5-methoxy-2,3-dihydro-1-benzofuran-4-ol
CID 105432938
4-bromo-5-methoxy-2,3-dihydro-1-benzofuran
CID 83918290
5-methoxy-2,3-dihydro-1-benzofuran-4-amine
CID 82373067
3-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)propanal
CID 117300834
7-prop-2-enyl-2,3-dihydro-1-benzofuran-4-ol
CID 67107270
methyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate
CID 10081776
2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid
CID 117285919
1,2-dihydrobenzo[e][1]benzofuran;hydrate
CID 118007569
[3-[2,3-bis(hydroxymethyl)-4-prop-2-enylphenoxy]-2-(hydroxymethyl)-6-prop-2-enylphenyl]methanol
CID 173437645

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-5-[(4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-yl)oxy]-2,3-dihydro-1-benzofuran?
The IUPAC name of 4-prop-2-enyl-5-[(4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-yl)oxy]-2,3-dihydro-1-benzofuran (CID 66780375) is 4-prop-2-enyl-5-[(4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-yl)oxy]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 4-prop-2-enyl-5-[(4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-yl)oxy]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 4-prop-2-enyl-5-[(4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-yl)oxy]-2,3-dihydro-1-benzofuran is C=CCc1c(Oc2ccc3c(c2CC=C)CCO3)ccc2c1CCO2.
What is the InChIKey of 4-prop-2-enyl-5-[(4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-yl)oxy]-2,3-dihydro-1-benzofuran?
The InChIKey is COJNKRWDZWDWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c1-3-5-15-17-11-13-23-19(17)7-9-21(15)25-22-10-8-20-18(12-14-24-20)16(22)6-4-2/h3-4,7-10H,1-2,5-6,11-14H2.
What are the key properties of 4-prop-2-enyl-5-[(4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-yl)oxy]-2,3-dihydro-1-benzofuran?
4-prop-2-enyl-5-[(4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-yl)oxy]-2,3-dihydro-1-benzofuran has a molecular weight of 334.42 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-5-[(4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-yl)oxy]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 66780375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).