1-(diphenylphosphorylmethyl)-2-methoxybenzene

C20H19O2P — CID 796917

IUPAC1-(diphenylphosphorylmethyl)-2-methoxybenzene
SMILESCOc1ccccc1CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19O2P/c1-22-20-15-9-8-10-17(20)16-23(21,18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15H,16H2,1H3
InChIKeySYVRWGWYCOELHU-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.21
Rot. Bonds5

About 1-(diphenylphosphorylmethyl)-2-methoxybenzene

1-(diphenylphosphorylmethyl)-2-methoxybenzene (PubChem CID 796917) has the molecular formula C20H19O2P and a molecular weight of 322.34 g/mol. Its IUPAC name is 1-(diphenylphosphorylmethyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(diphenylphosphorylmethyl)-2-methoxybenzene
PubChem CID796917
Molecular FormulaC20H19O2P
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name1-(diphenylphosphorylmethyl)-2-methoxybenzene
SMILESCOc1ccccc1CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19O2P/c1-22-20-15-9-8-10-17(20)16-23(21,18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15H,16H2,1H3
InChIKeySYVRWGWYCOELHU-UHFFFAOYSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.21
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 1-(diphenylphosphorylmethyl)-2-methoxybenzene?
The IUPAC name of 1-(diphenylphosphorylmethyl)-2-methoxybenzene (CID 796917) is 1-(diphenylphosphorylmethyl)-2-methoxybenzene.
What is the SMILES notation for 1-(diphenylphosphorylmethyl)-2-methoxybenzene?
The canonical SMILES for 1-(diphenylphosphorylmethyl)-2-methoxybenzene is COc1ccccc1CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(diphenylphosphorylmethyl)-2-methoxybenzene?
The InChIKey is SYVRWGWYCOELHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O2P/c1-22-20-15-9-8-10-17(20)16-23(21,18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15H,16H2,1H3.
What are the key properties of 1-(diphenylphosphorylmethyl)-2-methoxybenzene?
1-(diphenylphosphorylmethyl)-2-methoxybenzene has a molecular weight of 322.34 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diphenylphosphorylmethyl)-2-methoxybenzene is sourced from PubChem (CID 796917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).