1-ethyl-2-[(2-ethylphenyl)-octylphosphoryl]benzene

C24H35OP — CID 70478247

IUPAC1-ethyl-2-[(2-ethylphenyl)-octylphosphoryl]benzene
SMILESCCCCCCCCP(=O)(c1ccccc1CC)c1ccccc1CC
InChIInChI=1S/C24H35OP/c1-4-7-8-9-10-15-20-26(25,23-18-13-11-16-21(23)5-2)24-19-14-12-17-22(24)6-3/h11-14,16-19H,4-10,15,20H2,1-3H3
InChIKeyWSHIXCVTPXGHBK-UHFFFAOYSA-N
MW370.52 g/mol
LogP6.49
Rot. Bonds11

About 1-ethyl-2-[(2-ethylphenyl)-octylphosphoryl]benzene

1-ethyl-2-[(2-ethylphenyl)-octylphosphoryl]benzene (PubChem CID 70478247) has the molecular formula C24H35OP and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-ethyl-2-[(2-ethylphenyl)-octylphosphoryl]benzene.

Molecular Properties

Compound Name1-ethyl-2-[(2-ethylphenyl)-octylphosphoryl]benzene
PubChem CID70478247
Molecular FormulaC24H35OP
Molecular Weight370.52 g/mol
Exact Mass370.24
IUPAC Name1-ethyl-2-[(2-ethylphenyl)-octylphosphoryl]benzene
SMILESCCCCCCCCP(=O)(c1ccccc1CC)c1ccccc1CC
InChIInChI=1S/C24H35OP/c1-4-7-8-9-10-15-20-26(25,23-18-13-11-16-21(23)5-2)24-19-14-12-17-22(24)6-3/h11-14,16-19H,4-10,15,20H2,1-3H3
InChIKeyWSHIXCVTPXGHBK-UHFFFAOYSA-N
XLogP6.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.52
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-[(2-ethylphenyl)-octylphosphoryl]benzene 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

1-benzyl-2-[decyl(phenyl)phosphoryl]benzene
CID 158283262
(2-heptadecylphenyl)phosphonic acid
CID 23434842
1-[chloro-(2-heptylphenyl)phosphoryl]-2-heptylbenzene
CID 156694182
1,2-bis(dibutylphosphoryl)benzene
CID 138549467
1-ethyl-2-henicosylbenzene
CID 141174443
lithium hexyl(phenoxymethyl)phosphinate
CID 140978834
1-chloro-4-[(4-chlorophenyl)-decylphosphoryl]benzene
CID 102112436
1-dodecyl-2-hexylbenzene
CID 19371073
1,2-di(undecyl)benzene
CID 3019479
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1-nonyl-2-pentylbenzene
CID 54050070

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-ethylphenyl)-octylphosphoryl]benzene?
The IUPAC name of 1-ethyl-2-[(2-ethylphenyl)-octylphosphoryl]benzene (CID 70478247) is 1-ethyl-2-[(2-ethylphenyl)-octylphosphoryl]benzene.
What is the SMILES notation for 1-ethyl-2-[(2-ethylphenyl)-octylphosphoryl]benzene?
The canonical SMILES for 1-ethyl-2-[(2-ethylphenyl)-octylphosphoryl]benzene is CCCCCCCCP(=O)(c1ccccc1CC)c1ccccc1CC.
What is the InChIKey of 1-ethyl-2-[(2-ethylphenyl)-octylphosphoryl]benzene?
The InChIKey is WSHIXCVTPXGHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35OP/c1-4-7-8-9-10-15-20-26(25,23-18-13-11-16-21(23)5-2)24-19-14-12-17-22(24)6-3/h11-14,16-19H,4-10,15,20H2,1-3H3.
What are the key properties of 1-ethyl-2-[(2-ethylphenyl)-octylphosphoryl]benzene?
1-ethyl-2-[(2-ethylphenyl)-octylphosphoryl]benzene has a molecular weight of 370.52 g/mol, XLogP of 6.49, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2-ethylphenyl)-octylphosphoryl]benzene is sourced from PubChem (CID 70478247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).