6-methoxy-3-phenylmethoxy-4-prop-2-enyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene

C23H26O2 — CID 68584813

IUPAC6-methoxy-3-phenylmethoxy-4-prop-2-enyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene
SMILESC=CCc1cc(OC)c2c(c1OCc1ccccc1)C1CCC2CC1
InChIInChI=1S/C23H26O2/c1-3-7-19-14-20(24-2)21-17-10-12-18(13-11-17)22(21)23(19)25-15-16-8-5-4-6-9-16/h3-6,8-9,14,17-18H,1,7,10-13,15H2,2H3
InChIKeyFOWVBZOCVLSJRD-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.76
Rot. Bonds6

About 6-methoxy-3-phenylmethoxy-4-prop-2-enyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene

6-methoxy-3-phenylmethoxy-4-prop-2-enyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene (PubChem CID 68584813) has the molecular formula C23H26O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 6-methoxy-3-phenylmethoxy-4-prop-2-enyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name6-methoxy-3-phenylmethoxy-4-prop-2-enyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene
PubChem CID68584813
Molecular FormulaC23H26O2
Molecular Weight334.46 g/mol
Exact Mass334.19
IUPAC Name6-methoxy-3-phenylmethoxy-4-prop-2-enyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene
SMILESC=CCc1cc(OC)c2c(c1OCc1ccccc1)C1CCC2CC1
InChIInChI=1S/C23H26O2/c1-3-7-19-14-20(24-2)21-17-10-12-18(13-11-17)22(21)23(19)25-15-16-8-5-4-6-9-16/h3-6,8-9,14,17-18H,1,7,10-13,15H2,2H3
InChIKeyFOWVBZOCVLSJRD-UHFFFAOYSA-N
XLogP5.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.76
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

3,6-bis(phenylmethoxy)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-4-carbaldehyde
CID 126648320
4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene
CID 68966556
[2-hydroxy-3-(6-methoxy-3-phenylmethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)propyl] 4-methylbenzenesulfonate
CID 87506317
[(2S)-2-hydroxy-3-[(1S,8R)-6-methoxy-3-phenylmethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]propyl] 4-methylbenzenesulfonate
CID 86598550
1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene
CID 23247258
4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene
CID 68583368
4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 15574386
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methyl]aniline
CID 126120667
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]aniline
CID 126120783
3-phenylmethoxy-4-prop-2-enylphenol
CID 174520142
5-ethyl-2-phenylmethoxy-3-prop-2-enylbenzaldehyde
CID 22039321
3-cyclohexyl-5-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3511887

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-phenylmethoxy-4-prop-2-enyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The IUPAC name of 6-methoxy-3-phenylmethoxy-4-prop-2-enyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene (CID 68584813) is 6-methoxy-3-phenylmethoxy-4-prop-2-enyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for 6-methoxy-3-phenylmethoxy-4-prop-2-enyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The canonical SMILES for 6-methoxy-3-phenylmethoxy-4-prop-2-enyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene is C=CCc1cc(OC)c2c(c1OCc1ccccc1)C1CCC2CC1.
What is the InChIKey of 6-methoxy-3-phenylmethoxy-4-prop-2-enyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The InChIKey is FOWVBZOCVLSJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O2/c1-3-7-19-14-20(24-2)21-17-10-12-18(13-11-17)22(21)23(19)25-15-16-8-5-4-6-9-16/h3-6,8-9,14,17-18H,1,7,10-13,15H2,2H3.
What are the key properties of 6-methoxy-3-phenylmethoxy-4-prop-2-enyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
6-methoxy-3-phenylmethoxy-4-prop-2-enyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene has a molecular weight of 334.46 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-phenylmethoxy-4-prop-2-enyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 68584813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).