2-(5-benzyl-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane

C25H29OP — CID 71039912

IUPAC2-(5-benzyl-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane
SMILESCCC(C)(PC)c1cc(Cc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C25H29OP/c1-4-25(2,27-3)23-18-22(17-20-11-7-5-8-12-20)15-16-24(23)26-19-21-13-9-6-10-14-21/h5-16,18,27H,4,17,19H2,1-3H3
InChIKeyRIOKJIVTQRWPDM-UHFFFAOYSA-N
MW376.48 g/mol
LogP6.79
Rot. Bonds8

About 2-(5-benzyl-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane

2-(5-benzyl-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane (PubChem CID 71039912) has the molecular formula C25H29OP and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-(5-benzyl-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane.

Molecular Properties

Compound Name2-(5-benzyl-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane
PubChem CID71039912
Molecular FormulaC25H29OP
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name2-(5-benzyl-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane
SMILESCCC(C)(PC)c1cc(Cc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C25H29OP/c1-4-25(2,27-3)23-18-22(17-20-11-7-5-8-12-20)15-16-24(23)26-19-21-13-9-6-10-14-21/h5-16,18,27H,4,17,19H2,1-3H3
InChIKeyRIOKJIVTQRWPDM-UHFFFAOYSA-N
XLogP6.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethoxy-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane
CID 71039658
[5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol
CID 71039834
2-(3-tert-butyl-4-phenylmethoxyphenyl)acetonitrile
CID 129322944
2-tert-butyl-4-methylsulfanyl-1-phenylmethoxybenzene
CID 126677080
2-(3,5-dibenzyl-2-phenylmethoxyphenyl)hexan-2-yl-(2-fluorophenyl)phosphane
CID 71040120
2-(3-benzyl-2-phenylmethoxyphenyl)butan-2-yl-(2-fluorophenyl)phosphane
CID 71040119
1-tert-butyl-2-phenylmethoxybenzene;formaldehyde
CID 174659745
4-bromo-1-tert-butyl-2-phenylmethoxybenzene
CID 90310776
2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol
CID 59544164
N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 59768400
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
2-bromo-4-[[4-(methoxymethoxy)phenyl]methyl]-1-phenylmethoxybenzene
CID 59141082

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane?
The IUPAC name of 2-(5-benzyl-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane (CID 71039912) is 2-(5-benzyl-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane.
What is the SMILES notation for 2-(5-benzyl-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane?
The canonical SMILES for 2-(5-benzyl-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane is CCC(C)(PC)c1cc(Cc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of 2-(5-benzyl-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane?
The InChIKey is RIOKJIVTQRWPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29OP/c1-4-25(2,27-3)23-18-22(17-20-11-7-5-8-12-20)15-16-24(23)26-19-21-13-9-6-10-14-21/h5-16,18,27H,4,17,19H2,1-3H3.
What are the key properties of 2-(5-benzyl-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane?
2-(5-benzyl-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane has a molecular weight of 376.48 g/mol, XLogP of 6.79, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane is sourced from PubChem (CID 71039912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).