[1-(diphenylphosphorylmethyl)cyclopropyl]benzene

C22H21OP — CID 162412703

IUPAC[1-(diphenylphosphorylmethyl)cyclopropyl]benzene
SMILESO=P(CC1(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21OP/c23-24(20-12-6-2-7-13-20,21-14-8-3-9-15-21)18-22(16-17-22)19-10-4-1-5-11-19/h1-15H,16-18H2
InChIKeyADXNSLQDCXSASW-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.73
Rot. Bonds5

About [1-(diphenylphosphorylmethyl)cyclopropyl]benzene

[1-(diphenylphosphorylmethyl)cyclopropyl]benzene (PubChem CID 162412703) has the molecular formula C22H21OP and a molecular weight of 332.38 g/mol. Its IUPAC name is [1-(diphenylphosphorylmethyl)cyclopropyl]benzene.

Molecular Properties

Compound Name[1-(diphenylphosphorylmethyl)cyclopropyl]benzene
PubChem CID162412703
Molecular FormulaC22H21OP
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name[1-(diphenylphosphorylmethyl)cyclopropyl]benzene
SMILESO=P(CC1(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21OP/c23-24(20-12-6-2-7-13-20,21-14-8-3-9-15-21)18-22(16-17-22)19-10-4-1-5-11-19/h1-15H,16-18H2
InChIKeyADXNSLQDCXSASW-UHFFFAOYSA-N
XLogP4.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.73
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

(2R)-2-(diphenylphosphorylmethyl)-2-phenyloxirane
CID 10711759
1-(diphenylphosphorylmethyl)cyclopent-2-en-1-ol
CID 15155087
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
(1-phenylcyclopropyl)methanesulfonamide
CID 112639905
[3-(diphenylphosphorylmethyl)-3-methyloxiran-2-yl]methanol
CID 14928748
(1R,4R,7S)-7-(diphenylphosphorylmethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 98107561
2,5-bis(diphenylphosphorylmethyl)-1H-pyrrole
CID 102311609
1-(diphenylphosphorylmethyl)-2,3,4,5,6-pentamethylbenzene
CID 2776719
(3R)-3-(diphenylphosphorylmethyl)-1,3-diphenyl-2H-indolizin-4-ium-2-ide
CID 122402439
[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene
CID 15362204
4-ethyl-4-phenylcyclohexan-1-one
CID 71029419
1-chloro-4-(diphenylphosphorylmethyl)benzene
CID 14941259

Frequently Asked Questions

What is the IUPAC name of [1-(diphenylphosphorylmethyl)cyclopropyl]benzene?
The IUPAC name of [1-(diphenylphosphorylmethyl)cyclopropyl]benzene (CID 162412703) is [1-(diphenylphosphorylmethyl)cyclopropyl]benzene.
What is the SMILES notation for [1-(diphenylphosphorylmethyl)cyclopropyl]benzene?
The canonical SMILES for [1-(diphenylphosphorylmethyl)cyclopropyl]benzene is O=P(CC1(c2ccccc2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-(diphenylphosphorylmethyl)cyclopropyl]benzene?
The InChIKey is ADXNSLQDCXSASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21OP/c23-24(20-12-6-2-7-13-20,21-14-8-3-9-15-21)18-22(16-17-22)19-10-4-1-5-11-19/h1-15H,16-18H2.
What are the key properties of [1-(diphenylphosphorylmethyl)cyclopropyl]benzene?
[1-(diphenylphosphorylmethyl)cyclopropyl]benzene has a molecular weight of 332.38 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(diphenylphosphorylmethyl)cyclopropyl]benzene is sourced from PubChem (CID 162412703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).