1-(2,3-dimethylphenyl)ethyl-diphenylphosphane

C22H23P — CID 174399183

IUPAC1-(2,3-dimethylphenyl)ethyl-diphenylphosphane
SMILESCc1cccc(C(C)P(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C22H23P/c1-17-11-10-16-22(18(17)2)19(3)23(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-16,19H,1-3H3
InChIKeyPLYSTXQFWSEGJU-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.50
Rot. Bonds4

About 1-(2,3-dimethylphenyl)ethyl-diphenylphosphane

1-(2,3-dimethylphenyl)ethyl-diphenylphosphane (PubChem CID 174399183) has the molecular formula C22H23P and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)ethyl-diphenylphosphane.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)ethyl-diphenylphosphane
PubChem CID174399183
Molecular FormulaC22H23P
Molecular Weight318.40 g/mol
Exact Mass318.15
IUPAC Name1-(2,3-dimethylphenyl)ethyl-diphenylphosphane
SMILESCc1cccc(C(C)P(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C22H23P/c1-17-11-10-16-22(18(17)2)19(3)23(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-16,19H,1-3H3
InChIKeyPLYSTXQFWSEGJU-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(2,3-dimethylphenyl)-phenylmethyl]phosphane
CID 67637455
[(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane
CID 46216943
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
1-[chloro(phenyl)methyl]-2,3-dimethylbenzene
CID 13105628
1-[6-(1-diphenylphosphanylethyl)-2-pyridinyl]ethyl-diphenylphosphane;ethane
CID 159086200
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
1,2-dimethyl-3-[(E)-4-phenylbut-3-en-2-yl]benzene
CID 18968341
1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 22486887
1,2-dimethyl-3-(1-methylsulfanylethyl)benzene
CID 86182436
(2,3-dimethylphenyl)-(2-methylphenyl)methanamine
CID 55085139
benzene;1,2,3-trimethylbenzene
CID 159605245
N-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine
CID 115705431

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)ethyl-diphenylphosphane?
The IUPAC name of 1-(2,3-dimethylphenyl)ethyl-diphenylphosphane (CID 174399183) is 1-(2,3-dimethylphenyl)ethyl-diphenylphosphane.
What is the SMILES notation for 1-(2,3-dimethylphenyl)ethyl-diphenylphosphane?
The canonical SMILES for 1-(2,3-dimethylphenyl)ethyl-diphenylphosphane is Cc1cccc(C(C)P(c2ccccc2)c2ccccc2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)ethyl-diphenylphosphane?
The InChIKey is PLYSTXQFWSEGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23P/c1-17-11-10-16-22(18(17)2)19(3)23(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-16,19H,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)ethyl-diphenylphosphane?
1-(2,3-dimethylphenyl)ethyl-diphenylphosphane has a molecular weight of 318.40 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)ethyl-diphenylphosphane is sourced from PubChem (CID 174399183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).