4-phenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-one

C15H12O — CID 15856022

IUPAC4-phenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-one
SMILESO=C1C2C3C4C1C1C2C1(c1ccccc1)C34
InChIInChI=1S/C15H12O/c16-14-9-7-8-10(14)13-12(9)15(13,11(7)8)6-4-2-1-3-5-6/h1-5,7-13H
InChIKeyCZJIGHOSPHGGCZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.87
Rot. Bonds1

About 4-phenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-one

4-phenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-one (PubChem CID 15856022) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-phenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-one.

Molecular Properties

Compound Name4-phenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-one
PubChem CID15856022
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name4-phenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-one
SMILESO=C1C2C3C4C1C1C2C1(c1ccccc1)C34
InChIInChI=1S/C15H12O/c16-14-9-7-8-10(14)13-12(9)15(13,11(7)8)6-4-2-1-3-5-6/h1-5,7-13H
InChIKeyCZJIGHOSPHGGCZ-UHFFFAOYSA-N
XLogP1.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-one?
The IUPAC name of 4-phenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-one (CID 15856022) is 4-phenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-one.
What is the SMILES notation for 4-phenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-one?
The canonical SMILES for 4-phenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-one is O=C1C2C3C4C1C1C2C1(c1ccccc1)C34.
What is the InChIKey of 4-phenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-one?
The InChIKey is CZJIGHOSPHGGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c16-14-9-7-8-10(14)13-12(9)15(13,11(7)8)6-4-2-1-3-5-6/h1-5,7-13H.
What are the key properties of 4-phenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-one?
4-phenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-one has a molecular weight of 208.26 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-one is sourced from PubChem (CID 15856022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).