9-methoxy-11-(2-prop-2-enylphenyl)-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene

C21H20O2 — CID 135004177

IUPAC9-methoxy-11-(2-prop-2-enylphenyl)-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene
SMILESC=CCc1ccccc1C1=CC2(OC)Cc3ccccc3C1O2
InChIInChI=1S/C21H20O2/c1-3-8-15-9-4-6-11-17(15)19-14-21(22-2)13-16-10-5-7-12-18(16)20(19)23-21/h3-7,9-12,14,20H,1,8,13H2,2H3
InChIKeyNORFOKLCPDSRMI-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.47
Rot. Bonds4

About 9-methoxy-11-(2-prop-2-enylphenyl)-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene

9-methoxy-11-(2-prop-2-enylphenyl)-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene (PubChem CID 135004177) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 9-methoxy-11-(2-prop-2-enylphenyl)-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene.

Molecular Properties

Compound Name9-methoxy-11-(2-prop-2-enylphenyl)-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene
PubChem CID135004177
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name9-methoxy-11-(2-prop-2-enylphenyl)-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene
SMILESC=CCc1ccccc1C1=CC2(OC)Cc3ccccc3C1O2
InChIInChI=1S/C21H20O2/c1-3-8-15-9-4-6-11-17(15)19-14-21(22-2)13-16-10-5-7-12-18(16)20(19)23-21/h3-7,9-12,14,20H,1,8,13H2,2H3
InChIKeyNORFOKLCPDSRMI-UHFFFAOYSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-prop-2-enylphenyl)cyclohexa-2,4-diene-1,1-diamine
CID 174870617
1-benzyl-2-(2-prop-2-enylphenyl)benzene
CID 173274137
1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene
CID 173365962
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101
6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene
CID 12522307
2-chloro-4-prop-2-enyl-2,3-dihydro-1H-indene
CID 173358036
ethyl 6-methyl-2-oxo-4-(2-prop-2-enylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 15361019
7-ethenylbicyclo[4.2.0]octa-1,3,5-triene;hexa-1,4-diene
CID 160724552
9-[2-(3-prop-2-enyl-1H-inden-1-yl)ethyl]-9H-fluorene
CID 15899658
3'-methoxy-3'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-one
CID 142663538
1-methyl-2-prop-2-enylbenzene;sulfane
CID 174918280
methane;1-methyl-2-prop-2-enylbenzene
CID 174365033

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-11-(2-prop-2-enylphenyl)-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene?
The IUPAC name of 9-methoxy-11-(2-prop-2-enylphenyl)-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene (CID 135004177) is 9-methoxy-11-(2-prop-2-enylphenyl)-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene.
What is the SMILES notation for 9-methoxy-11-(2-prop-2-enylphenyl)-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene?
The canonical SMILES for 9-methoxy-11-(2-prop-2-enylphenyl)-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene is C=CCc1ccccc1C1=CC2(OC)Cc3ccccc3C1O2.
What is the InChIKey of 9-methoxy-11-(2-prop-2-enylphenyl)-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene?
The InChIKey is NORFOKLCPDSRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c1-3-8-15-9-4-6-11-17(15)19-14-21(22-2)13-16-10-5-7-12-18(16)20(19)23-21/h3-7,9-12,14,20H,1,8,13H2,2H3.
What are the key properties of 9-methoxy-11-(2-prop-2-enylphenyl)-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene?
9-methoxy-11-(2-prop-2-enylphenyl)-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene has a molecular weight of 304.39 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-11-(2-prop-2-enylphenyl)-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene is sourced from PubChem (CID 135004177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).