benzyl-bis(2,3-dimethylphenyl)phosphane

C23H25P — CID 118892814

IUPACbenzyl-bis(2,3-dimethylphenyl)phosphane
SMILESCc1cccc(P(Cc2ccccc2)c2cccc(C)c2C)c1C
InChIInChI=1S/C23H25P/c1-17-10-8-14-22(19(17)3)24(16-21-12-6-5-7-13-21)23-15-9-11-18(2)20(23)4/h5-15H,16H2,1-4H3
InChIKeyOFJPVDMEFIYLMU-UHFFFAOYSA-N
MW332.43 g/mol
LogP5.55
Rot. Bonds4

About benzyl-bis(2,3-dimethylphenyl)phosphane

benzyl-bis(2,3-dimethylphenyl)phosphane (PubChem CID 118892814) has the molecular formula C23H25P and a molecular weight of 332.43 g/mol. Its IUPAC name is benzyl-bis(2,3-dimethylphenyl)phosphane.

Molecular Properties

Compound Namebenzyl-bis(2,3-dimethylphenyl)phosphane
PubChem CID118892814
Molecular FormulaC23H25P
Molecular Weight332.43 g/mol
Exact Mass332.17
IUPAC Namebenzyl-bis(2,3-dimethylphenyl)phosphane
SMILESCc1cccc(P(Cc2ccccc2)c2cccc(C)c2C)c1C
InChIInChI=1S/C23H25P/c1-17-10-8-14-22(19(17)3)24(16-21-12-6-5-7-13-21)23-15-9-11-18(2)20(23)4/h5-15H,16H2,1-4H3
InChIKeyOFJPVDMEFIYLMU-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze benzyl-bis(2,3-dimethylphenyl)phosphane 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-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane
CID 90108584
bis(2,3-dimethylphenyl)-octylphosphane
CID 161297882
benzene;1,2,3-trimethylbenzene
CID 159605245
(4-methoxyphenyl)methyl-(2-methylphenyl)-phenylphosphane
CID 174887519
azane;1-benzyl-2,3-dimethylbenzene;hydrochloride
CID 174867327
(2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane
CID 90110620
benzyl-phenyl-(2,4,6-trimethylphenyl)phosphane
CID 91019854
(2,6-dimethylphenyl)methyl-diphenylphosphane
CID 130461808
dibenzyl(1-dibenzylphosphanylethyl)phosphane
CID 21296881
benzyl-[2-[benzyl(tert-butyl)phosphanyl]phenyl]-tert-butylphosphane
CID 102459485
methane;1,2,3-trimethylbenzene;1,2-xylene
CID 157250417
(2,3-dimethylphenyl)-dipentylphosphane
CID 90112101

Frequently Asked Questions

What is the IUPAC name of benzyl-bis(2,3-dimethylphenyl)phosphane?
The IUPAC name of benzyl-bis(2,3-dimethylphenyl)phosphane (CID 118892814) is benzyl-bis(2,3-dimethylphenyl)phosphane.
What is the SMILES notation for benzyl-bis(2,3-dimethylphenyl)phosphane?
The canonical SMILES for benzyl-bis(2,3-dimethylphenyl)phosphane is Cc1cccc(P(Cc2ccccc2)c2cccc(C)c2C)c1C.
What is the InChIKey of benzyl-bis(2,3-dimethylphenyl)phosphane?
The InChIKey is OFJPVDMEFIYLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25P/c1-17-10-8-14-22(19(17)3)24(16-21-12-6-5-7-13-21)23-15-9-11-18(2)20(23)4/h5-15H,16H2,1-4H3.
What are the key properties of benzyl-bis(2,3-dimethylphenyl)phosphane?
benzyl-bis(2,3-dimethylphenyl)phosphane has a molecular weight of 332.43 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-bis(2,3-dimethylphenyl)phosphane is sourced from PubChem (CID 118892814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).