10,11-dimethyl-12-phenyl-13-oxatetracyclo[9.2.1.02,7.08,12]tetradeca-2,4,6,8-tetraene

C21H20O — CID 101183549

IUPAC10,11-dimethyl-12-phenyl-13-oxatetracyclo[9.2.1.02,7.08,12]tetradeca-2,4,6,8-tetraene
SMILESCC1C=C2c3ccccc3C3CC1(C)C2(c1ccccc1)O3
InChIInChI=1S/C21H20O/c1-14-12-18-16-10-6-7-11-17(16)19-13-20(14,2)21(18,22-19)15-8-4-3-5-9-15/h3-12,14,19H,13H2,1-2H3
InChIKeyWYDYQJDECHNZTO-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.10
Rot. Bonds1

About 10,11-dimethyl-12-phenyl-13-oxatetracyclo[9.2.1.02,7.08,12]tetradeca-2,4,6,8-tetraene

10,11-dimethyl-12-phenyl-13-oxatetracyclo[9.2.1.02,7.08,12]tetradeca-2,4,6,8-tetraene (PubChem CID 101183549) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is 10,11-dimethyl-12-phenyl-13-oxatetracyclo[9.2.1.02,7.08,12]tetradeca-2,4,6,8-tetraene.

Molecular Properties

Compound Name10,11-dimethyl-12-phenyl-13-oxatetracyclo[9.2.1.02,7.08,12]tetradeca-2,4,6,8-tetraene
PubChem CID101183549
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Name10,11-dimethyl-12-phenyl-13-oxatetracyclo[9.2.1.02,7.08,12]tetradeca-2,4,6,8-tetraene
SMILESCC1C=C2c3ccccc3C3CC1(C)C2(c1ccccc1)O3
InChIInChI=1S/C21H20O/c1-14-12-18-16-10-6-7-11-17(16)19-13-20(14,2)21(18,22-19)15-8-4-3-5-9-15/h3-12,14,19H,13H2,1-2H3
InChIKeyWYDYQJDECHNZTO-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10,11-dimethyl-12-phenyl-13-oxatetracyclo[9.2.1.02,7.08,12]tetradeca-2,4,6,8-tetraene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10,11-dimethyl-12-phenyl-13-oxatetracyclo[9.2.1.02,7.08,12]tetradeca-2,4,6,8-tetraene?
The IUPAC name of 10,11-dimethyl-12-phenyl-13-oxatetracyclo[9.2.1.02,7.08,12]tetradeca-2,4,6,8-tetraene (CID 101183549) is 10,11-dimethyl-12-phenyl-13-oxatetracyclo[9.2.1.02,7.08,12]tetradeca-2,4,6,8-tetraene.
What is the SMILES notation for 10,11-dimethyl-12-phenyl-13-oxatetracyclo[9.2.1.02,7.08,12]tetradeca-2,4,6,8-tetraene?
The canonical SMILES for 10,11-dimethyl-12-phenyl-13-oxatetracyclo[9.2.1.02,7.08,12]tetradeca-2,4,6,8-tetraene is CC1C=C2c3ccccc3C3CC1(C)C2(c1ccccc1)O3.
What is the InChIKey of 10,11-dimethyl-12-phenyl-13-oxatetracyclo[9.2.1.02,7.08,12]tetradeca-2,4,6,8-tetraene?
The InChIKey is WYDYQJDECHNZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O/c1-14-12-18-16-10-6-7-11-17(16)19-13-20(14,2)21(18,22-19)15-8-4-3-5-9-15/h3-12,14,19H,13H2,1-2H3.
What are the key properties of 10,11-dimethyl-12-phenyl-13-oxatetracyclo[9.2.1.02,7.08,12]tetradeca-2,4,6,8-tetraene?
10,11-dimethyl-12-phenyl-13-oxatetracyclo[9.2.1.02,7.08,12]tetradeca-2,4,6,8-tetraene has a molecular weight of 288.39 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11-dimethyl-12-phenyl-13-oxatetracyclo[9.2.1.02,7.08,12]tetradeca-2,4,6,8-tetraene is sourced from PubChem (CID 101183549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).