(1R,6S,8R)-8-phenylbicyclo[4.2.1]nona-2,4-dien-7-one

C15H14O — CID 42644034

IUPAC(1R,6S,8R)-8-phenylbicyclo[4.2.1]nona-2,4-dien-7-one
SMILESO=C1[C@@H]2C=CC=C[C@@H](C2)[C@@H]1c1ccccc1
InChIInChI=1S/C15H14O/c16-15-13-9-5-4-8-12(10-13)14(15)11-6-2-1-3-7-11/h1-9,12-14H,10H2/t12-,13+,14-/m0/s1
InChIKeyRPFVPOIABAXLLT-MJBXVCDLSA-N
MW210.28 g/mol
LogP3.10
Rot. Bonds1

About (1R,6S,8R)-8-phenylbicyclo[4.2.1]nona-2,4-dien-7-one

(1R,6S,8R)-8-phenylbicyclo[4.2.1]nona-2,4-dien-7-one (PubChem CID 42644034) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is (1R,6S,8R)-8-phenylbicyclo[4.2.1]nona-2,4-dien-7-one.

Molecular Properties

Compound Name(1R,6S,8R)-8-phenylbicyclo[4.2.1]nona-2,4-dien-7-one
PubChem CID42644034
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name(1R,6S,8R)-8-phenylbicyclo[4.2.1]nona-2,4-dien-7-one
SMILESO=C1[C@@H]2C=CC=C[C@@H](C2)[C@@H]1c1ccccc1
InChIInChI=1S/C15H14O/c16-15-13-9-5-4-8-12(10-13)14(15)11-6-2-1-3-7-11/h1-9,12-14H,10H2/t12-,13+,14-/m0/s1
InChIKeyRPFVPOIABAXLLT-MJBXVCDLSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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6-phenyl-4a,5,5a,6,11,11a,12,12a-octahydrotetracene
CID 166440831
(1S,6S)-10-phenylbicyclo[4.3.1]deca-2,4-diene
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(1R,2S,4S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]octan-3-one
CID 98624727
(9S,11S)-9,11-diphenyltetracyclo[6.3.1.13,6.02,7]tridec-2(7)-en-10-one
CID 117069734
cyclopenta-2,4-dien-1-ylbenzene
CID 10917557
2,3-diphenylcyclododecane-1,4-dione
CID 101032541
1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene
CID 21095473
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CID 12734579
(1R,2S,5S,7S)-2-hydroxy-7-phenylbicyclo[3.2.0]heptan-6-one
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CID 14796237

Frequently Asked Questions

What is the IUPAC name of (1R,6S,8R)-8-phenylbicyclo[4.2.1]nona-2,4-dien-7-one?
The IUPAC name of (1R,6S,8R)-8-phenylbicyclo[4.2.1]nona-2,4-dien-7-one (CID 42644034) is (1R,6S,8R)-8-phenylbicyclo[4.2.1]nona-2,4-dien-7-one.
What is the SMILES notation for (1R,6S,8R)-8-phenylbicyclo[4.2.1]nona-2,4-dien-7-one?
The canonical SMILES for (1R,6S,8R)-8-phenylbicyclo[4.2.1]nona-2,4-dien-7-one is O=C1[C@@H]2C=CC=C[C@@H](C2)[C@@H]1c1ccccc1.
What is the InChIKey of (1R,6S,8R)-8-phenylbicyclo[4.2.1]nona-2,4-dien-7-one?
The InChIKey is RPFVPOIABAXLLT-MJBXVCDLSA-N. The full InChI is InChI=1S/C15H14O/c16-15-13-9-5-4-8-12(10-13)14(15)11-6-2-1-3-7-11/h1-9,12-14H,10H2/t12-,13+,14-/m0/s1.
What are the key properties of (1R,6S,8R)-8-phenylbicyclo[4.2.1]nona-2,4-dien-7-one?
(1R,6S,8R)-8-phenylbicyclo[4.2.1]nona-2,4-dien-7-one has a molecular weight of 210.28 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,8R)-8-phenylbicyclo[4.2.1]nona-2,4-dien-7-one is sourced from PubChem (CID 42644034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).