3-phenyltetracyclo[7.4.0.02,7.03,5]trideca-1(13),2(7),9,11-tetraen-8-one

C19H14O — CID 10682644

IUPAC3-phenyltetracyclo[7.4.0.02,7.03,5]trideca-1(13),2(7),9,11-tetraen-8-one
SMILESO=C1C2=C(c3ccccc31)C1(c3ccccc3)CC1C2
InChIInChI=1S/C19H14O/c20-18-15-9-5-4-8-14(15)17-16(18)10-13-11-19(13,17)12-6-2-1-3-7-12/h1-9,13H,10-11H2
InChIKeyFGVBZQFMFIJBRP-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.00
Rot. Bonds1

About 3-phenyltetracyclo[7.4.0.02,7.03,5]trideca-1(13),2(7),9,11-tetraen-8-one

3-phenyltetracyclo[7.4.0.02,7.03,5]trideca-1(13),2(7),9,11-tetraen-8-one (PubChem CID 10682644) has the molecular formula C19H14O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-phenyltetracyclo[7.4.0.02,7.03,5]trideca-1(13),2(7),9,11-tetraen-8-one.

Molecular Properties

Compound Name3-phenyltetracyclo[7.4.0.02,7.03,5]trideca-1(13),2(7),9,11-tetraen-8-one
PubChem CID10682644
Molecular FormulaC19H14O
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Name3-phenyltetracyclo[7.4.0.02,7.03,5]trideca-1(13),2(7),9,11-tetraen-8-one
SMILESO=C1C2=C(c3ccccc31)C1(c3ccccc3)CC1C2
InChIInChI=1S/C19H14O/c20-18-15-9-5-4-8-14(15)17-16(18)10-13-11-19(13,17)12-6-2-1-3-7-12/h1-9,13H,10-11H2
InChIKeyFGVBZQFMFIJBRP-UHFFFAOYSA-N
XLogP4.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyltetracyclo[7.4.0.02,7.03,5]trideca-1(13),2(7),9,11-tetraen-8-one?
The IUPAC name of 3-phenyltetracyclo[7.4.0.02,7.03,5]trideca-1(13),2(7),9,11-tetraen-8-one (CID 10682644) is 3-phenyltetracyclo[7.4.0.02,7.03,5]trideca-1(13),2(7),9,11-tetraen-8-one.
What is the SMILES notation for 3-phenyltetracyclo[7.4.0.02,7.03,5]trideca-1(13),2(7),9,11-tetraen-8-one?
The canonical SMILES for 3-phenyltetracyclo[7.4.0.02,7.03,5]trideca-1(13),2(7),9,11-tetraen-8-one is O=C1C2=C(c3ccccc31)C1(c3ccccc3)CC1C2.
What is the InChIKey of 3-phenyltetracyclo[7.4.0.02,7.03,5]trideca-1(13),2(7),9,11-tetraen-8-one?
The InChIKey is FGVBZQFMFIJBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O/c20-18-15-9-5-4-8-14(15)17-16(18)10-13-11-19(13,17)12-6-2-1-3-7-12/h1-9,13H,10-11H2.
What are the key properties of 3-phenyltetracyclo[7.4.0.02,7.03,5]trideca-1(13),2(7),9,11-tetraen-8-one?
3-phenyltetracyclo[7.4.0.02,7.03,5]trideca-1(13),2(7),9,11-tetraen-8-one has a molecular weight of 258.32 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyltetracyclo[7.4.0.02,7.03,5]trideca-1(13),2(7),9,11-tetraen-8-one is sourced from PubChem (CID 10682644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).