(2-pentylphenyl)-diphenylphosphane

C23H25P — CID 22731138

IUPAC(2-pentylphenyl)-diphenylphosphane
SMILESCCCCCc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25P/c1-2-3-6-13-20-14-11-12-19-23(20)24(21-15-7-4-8-16-21)22-17-9-5-10-18-22/h4-5,7-12,14-19H,2-3,6,13H2,1H3
InChIKeyIJUOBEUWPNYJKC-UHFFFAOYSA-N
MW332.43 g/mol
LogP5.18
Rot. Bonds7

About (2-pentylphenyl)-diphenylphosphane

(2-pentylphenyl)-diphenylphosphane (PubChem CID 22731138) has the molecular formula C23H25P and a molecular weight of 332.43 g/mol. Its IUPAC name is (2-pentylphenyl)-diphenylphosphane.

Molecular Properties

Compound Name(2-pentylphenyl)-diphenylphosphane
PubChem CID22731138
Molecular FormulaC23H25P
Molecular Weight332.43 g/mol
Exact Mass332.17
IUPAC Name(2-pentylphenyl)-diphenylphosphane
SMILESCCCCCc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25P/c1-2-3-6-13-20-14-11-12-19-23(20)24(21-15-7-4-8-16-21)22-17-9-5-10-18-22/h4-5,7-12,14-19H,2-3,6,13H2,1H3
InChIKeyIJUOBEUWPNYJKC-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-butylphenyl)-diphenylphosphane;hydrobromide
CID 173070100
(2-butylphenyl)-diphenylphosphane;thiocyanic acid
CID 172735043
(2-nonylphenyl)phosphane;triphenylphosphane
CID 174888217
(2-ethylphenyl)-diphenylphosphane;hydrobromide
CID 172692670
2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride
CID 172741972
1,2-di(undecyl)benzene
CID 3019479
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
ethyl 4-(2-diphenylphosphanylphenyl)butanoate;hydrobromide
CID 172866097
1,2-dihexylbenzene;hydrate
CID 172833093

Frequently Asked Questions

What is the IUPAC name of (2-pentylphenyl)-diphenylphosphane?
The IUPAC name of (2-pentylphenyl)-diphenylphosphane (CID 22731138) is (2-pentylphenyl)-diphenylphosphane.
What is the SMILES notation for (2-pentylphenyl)-diphenylphosphane?
The canonical SMILES for (2-pentylphenyl)-diphenylphosphane is CCCCCc1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-pentylphenyl)-diphenylphosphane?
The InChIKey is IJUOBEUWPNYJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25P/c1-2-3-6-13-20-14-11-12-19-23(20)24(21-15-7-4-8-16-21)22-17-9-5-10-18-22/h4-5,7-12,14-19H,2-3,6,13H2,1H3.
What are the key properties of (2-pentylphenyl)-diphenylphosphane?
(2-pentylphenyl)-diphenylphosphane has a molecular weight of 332.43 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pentylphenyl)-diphenylphosphane is sourced from PubChem (CID 22731138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).