(2,3-dibutylphenyl)-methyl-phenylphosphane

C21H29P — CID 90110911

IUPAC(2,3-dibutylphenyl)-methyl-phenylphosphane
SMILESCCCCc1cccc(P(C)c2ccccc2)c1CCCC
InChIInChI=1S/C21H29P/c1-4-6-12-18-13-11-17-21(20(18)16-7-5-2)22(3)19-14-9-8-10-15-19/h8-11,13-15,17H,4-7,12,16H2,1-3H3
InChIKeyHYJJOVYUWXKFKO-UHFFFAOYSA-N
MW312.44 g/mol
LogP5.43
Rot. Bonds8

About (2,3-dibutylphenyl)-methyl-phenylphosphane

(2,3-dibutylphenyl)-methyl-phenylphosphane (PubChem CID 90110911) has the molecular formula C21H29P and a molecular weight of 312.44 g/mol. Its IUPAC name is (2,3-dibutylphenyl)-methyl-phenylphosphane.

Molecular Properties

Compound Name(2,3-dibutylphenyl)-methyl-phenylphosphane
PubChem CID90110911
Molecular FormulaC21H29P
Molecular Weight312.44 g/mol
Exact Mass312.20
IUPAC Name(2,3-dibutylphenyl)-methyl-phenylphosphane
SMILESCCCCc1cccc(P(C)c2ccccc2)c1CCCC
InChIInChI=1S/C21H29P/c1-4-6-12-18-13-11-17-21(20(18)16-7-5-2)22(3)19-14-9-8-10-15-19/h8-11,13-15,17H,4-7,12,16H2,1-3H3
InChIKeyHYJJOVYUWXKFKO-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.44
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2,3-dibutylphenyl)-methyl-phenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-butylphenyl)-diphenylphosphane;hydrobromide
CID 173070100
1,2,3-tributylbenzene;hydrate
CID 172716323
bis(2,3-dibutylphenyl)-hexylphosphane
CID 158747686
1,1-bis[bis(2,3-dibutylphenyl)phosphanyl]butyl-bis(2,3-dibutylphenyl)phosphane
CID 90107998
[1-bis(2,3-dibutylphenyl)phosphanylcyclohexyl]-bis(2,3-dibutylphenyl)phosphane
CID 90110687
[2,3-di(nonyl)phenyl]phosphonous acid
CID 19736789
(2-pentylphenyl)-diphenylphosphane
CID 22731138
1,2-dipentylbenzene;1,2,3-tripentylbenzene
CID 161479121
2-butyl-1,3-di(tetracosyl)benzene
CID 91602515
1,2-dibutyl-3-dodecylbenzene
CID 91050964
1,3-dibutyl-2-ethylbenzene
CID 22713046
(2-butyl-6-methylphenyl)methanamine
CID 163670855

Frequently Asked Questions

What is the IUPAC name of (2,3-dibutylphenyl)-methyl-phenylphosphane?
The IUPAC name of (2,3-dibutylphenyl)-methyl-phenylphosphane (CID 90110911) is (2,3-dibutylphenyl)-methyl-phenylphosphane.
What is the SMILES notation for (2,3-dibutylphenyl)-methyl-phenylphosphane?
The canonical SMILES for (2,3-dibutylphenyl)-methyl-phenylphosphane is CCCCc1cccc(P(C)c2ccccc2)c1CCCC.
What is the InChIKey of (2,3-dibutylphenyl)-methyl-phenylphosphane?
The InChIKey is HYJJOVYUWXKFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29P/c1-4-6-12-18-13-11-17-21(20(18)16-7-5-2)22(3)19-14-9-8-10-15-19/h8-11,13-15,17H,4-7,12,16H2,1-3H3.
What are the key properties of (2,3-dibutylphenyl)-methyl-phenylphosphane?
(2,3-dibutylphenyl)-methyl-phenylphosphane has a molecular weight of 312.44 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dibutylphenyl)-methyl-phenylphosphane is sourced from PubChem (CID 90110911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).