benzyl-bis(4-methoxyphenyl)phosphane

C21H21O2P — CID 19835460

IUPACbenzyl-bis(4-methoxyphenyl)phosphane
SMILESCOc1ccc(P(Cc2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H21O2P/c1-22-18-8-12-20(13-9-18)24(16-17-6-4-3-5-7-17)21-14-10-19(23-2)11-15-21/h3-15H,16H2,1-2H3
InChIKeyYYQCCIAMEHJYLU-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.34
Rot. Bonds6

About benzyl-bis(4-methoxyphenyl)phosphane

benzyl-bis(4-methoxyphenyl)phosphane (PubChem CID 19835460) has the molecular formula C21H21O2P and a molecular weight of 336.37 g/mol. Its IUPAC name is benzyl-bis(4-methoxyphenyl)phosphane.

Molecular Properties

Compound Namebenzyl-bis(4-methoxyphenyl)phosphane
PubChem CID19835460
Molecular FormulaC21H21O2P
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Namebenzyl-bis(4-methoxyphenyl)phosphane
SMILESCOc1ccc(P(Cc2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H21O2P/c1-22-18-8-12-20(13-9-18)24(16-17-6-4-3-5-7-17)21-14-10-19(23-2)11-15-21/h3-15H,16H2,1-2H3
InChIKeyYYQCCIAMEHJYLU-UHFFFAOYSA-N
XLogP4.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl-bis(4-methoxyphenyl)phosphane?
The IUPAC name of benzyl-bis(4-methoxyphenyl)phosphane (CID 19835460) is benzyl-bis(4-methoxyphenyl)phosphane.
What is the SMILES notation for benzyl-bis(4-methoxyphenyl)phosphane?
The canonical SMILES for benzyl-bis(4-methoxyphenyl)phosphane is COc1ccc(P(Cc2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of benzyl-bis(4-methoxyphenyl)phosphane?
The InChIKey is YYQCCIAMEHJYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O2P/c1-22-18-8-12-20(13-9-18)24(16-17-6-4-3-5-7-17)21-14-10-19(23-2)11-15-21/h3-15H,16H2,1-2H3.
What are the key properties of benzyl-bis(4-methoxyphenyl)phosphane?
benzyl-bis(4-methoxyphenyl)phosphane has a molecular weight of 336.37 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-bis(4-methoxyphenyl)phosphane is sourced from PubChem (CID 19835460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).