(6-diphenylphosphorylcyclohexen-1-yl)benzene

C24H23OP — CID 177415752

IUPAC(6-diphenylphosphorylcyclohexen-1-yl)benzene
SMILESO=P(c1ccccc1)(c1ccccc1)C1CCCC=C1c1ccccc1
InChIInChI=1S/C24H23OP/c25-26(21-14-6-2-7-15-21,22-16-8-3-9-17-22)24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-9,12-18,24H,10-11,19H2
InChIKeyNZASPRKTXMKVIY-UHFFFAOYSA-N
MW358.42 g/mol
LogP5.64
Rot. Bonds4

About (6-diphenylphosphorylcyclohexen-1-yl)benzene

(6-diphenylphosphorylcyclohexen-1-yl)benzene (PubChem CID 177415752) has the molecular formula C24H23OP and a molecular weight of 358.42 g/mol. Its IUPAC name is (6-diphenylphosphorylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name(6-diphenylphosphorylcyclohexen-1-yl)benzene
PubChem CID177415752
Molecular FormulaC24H23OP
Molecular Weight358.42 g/mol
Exact Mass358.15
IUPAC Name(6-diphenylphosphorylcyclohexen-1-yl)benzene
SMILESO=P(c1ccccc1)(c1ccccc1)C1CCCC=C1c1ccccc1
InChIInChI=1S/C24H23OP/c25-26(21-14-6-2-7-15-21,22-16-8-3-9-17-22)24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-9,12-18,24H,10-11,19H2
InChIKeyNZASPRKTXMKVIY-UHFFFAOYSA-N
XLogP5.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.42
LogP ≤ 55.64
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

(6-fluorocyclohexen-1-yl)benzene
CID 102284062
1-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalene
CID 102203272
carbanide;(2-phenylcyclohex-2-en-1-yl)methanol;yttrium
CID 159640672
(5R,6S)-5-diphenylphosphoryl-1,6-diphenylcycloheptene
CID 102091489
(1S,2R)-3-phenylcyclohex-3-ene-1,2-diol
CID 10535684
[6-(methylsulfanylmethyl)cyclohexen-1-yl]benzene
CID 162417225
(6-ethoxycyclohexen-1-yl)benzene
CID 13170090
2-phenylcyclohex-2-en-1-ol;2-phenylcyclohex-2-en-1-one
CID 158536601
2-diphenylphosphorylpyrrolidine
CID 11097633
(1S,2S,3S,4S)-2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane
CID 6595843
(8aR,8bR)-1,2,3,6,7,8,8a,8b-octahydrobiphenylene
CID 91699542
2-phenyl-3a,4,5,6-tetrahydroindene-1,3-dione
CID 171384673

Frequently Asked Questions

What is the IUPAC name of (6-diphenylphosphorylcyclohexen-1-yl)benzene?
The IUPAC name of (6-diphenylphosphorylcyclohexen-1-yl)benzene (CID 177415752) is (6-diphenylphosphorylcyclohexen-1-yl)benzene.
What is the SMILES notation for (6-diphenylphosphorylcyclohexen-1-yl)benzene?
The canonical SMILES for (6-diphenylphosphorylcyclohexen-1-yl)benzene is O=P(c1ccccc1)(c1ccccc1)C1CCCC=C1c1ccccc1.
What is the InChIKey of (6-diphenylphosphorylcyclohexen-1-yl)benzene?
The InChIKey is NZASPRKTXMKVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23OP/c25-26(21-14-6-2-7-15-21,22-16-8-3-9-17-22)24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-9,12-18,24H,10-11,19H2.
What are the key properties of (6-diphenylphosphorylcyclohexen-1-yl)benzene?
(6-diphenylphosphorylcyclohexen-1-yl)benzene has a molecular weight of 358.42 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-diphenylphosphorylcyclohexen-1-yl)benzene is sourced from PubChem (CID 177415752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).