1-phenyl-2,3,4a,5,6,7,8,8a-octahydrophosphinolin-4-one

C15H19OP — CID 13103983

IUPAC1-phenyl-2,3,4a,5,6,7,8,8a-octahydrophosphinolin-4-one
SMILESO=C1CCP(c2ccccc2)C2CCCCC12
InChIInChI=1S/C15H19OP/c16-14-10-11-17(12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-3,6-7,13,15H,4-5,8-11H2
InChIKeyGBARFHJMHOVBST-UHFFFAOYSA-N
MW246.29 g/mol
LogP3.33
Rot. Bonds1

About 1-phenyl-2,3,4a,5,6,7,8,8a-octahydrophosphinolin-4-one

1-phenyl-2,3,4a,5,6,7,8,8a-octahydrophosphinolin-4-one (PubChem CID 13103983) has the molecular formula C15H19OP and a molecular weight of 246.29 g/mol. Its IUPAC name is 1-phenyl-2,3,4a,5,6,7,8,8a-octahydrophosphinolin-4-one.

Molecular Properties

Compound Name1-phenyl-2,3,4a,5,6,7,8,8a-octahydrophosphinolin-4-one
PubChem CID13103983
Molecular FormulaC15H19OP
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name1-phenyl-2,3,4a,5,6,7,8,8a-octahydrophosphinolin-4-one
SMILESO=C1CCP(c2ccccc2)C2CCCCC12
InChIInChI=1S/C15H19OP/c16-14-10-11-17(12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-3,6-7,13,15H,4-5,8-11H2
InChIKeyGBARFHJMHOVBST-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1R,2S)-N,N-dicyclohexyl-1-phenylphospholan-2-amine
CID 163198375
(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 13235574
(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 13235573
2-diphenylphosphoryl-1-phenylphospholane
CID 101412404
(4aS,8aR)-1-benzoyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 754278
(2S)-2-[(2S)-1-benzylazepan-2-yl]cyclopentan-1-one
CID 99978810
2-(4-phenyl-2,3-dihydro-1-benzoxepin-2-yl)cyclohexan-1-one
CID 101030634
trimethyl-[(2R)-1-phenylphospholan-2-yl]stannane
CID 177447932
(4aR,7aR)-1-benzyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
CID 7200726
1-(benzenesulfonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 555825
(4aS,8aS)-1-(benzenesulfonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 6923245
1-benzyl-2,3,3a,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-4-one
CID 78090939

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2,3,4a,5,6,7,8,8a-octahydrophosphinolin-4-one?
The IUPAC name of 1-phenyl-2,3,4a,5,6,7,8,8a-octahydrophosphinolin-4-one (CID 13103983) is 1-phenyl-2,3,4a,5,6,7,8,8a-octahydrophosphinolin-4-one.
What is the SMILES notation for 1-phenyl-2,3,4a,5,6,7,8,8a-octahydrophosphinolin-4-one?
The canonical SMILES for 1-phenyl-2,3,4a,5,6,7,8,8a-octahydrophosphinolin-4-one is O=C1CCP(c2ccccc2)C2CCCCC12.
What is the InChIKey of 1-phenyl-2,3,4a,5,6,7,8,8a-octahydrophosphinolin-4-one?
The InChIKey is GBARFHJMHOVBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19OP/c16-14-10-11-17(12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-3,6-7,13,15H,4-5,8-11H2.
What are the key properties of 1-phenyl-2,3,4a,5,6,7,8,8a-octahydrophosphinolin-4-one?
1-phenyl-2,3,4a,5,6,7,8,8a-octahydrophosphinolin-4-one has a molecular weight of 246.29 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2,3,4a,5,6,7,8,8a-octahydrophosphinolin-4-one is sourced from PubChem (CID 13103983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).