[2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride

C20H20ClOP — CID 172850190

IUPAC[2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride
SMILESCOCc1ccccc1P(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H19OP.ClH/c1-21-16-17-10-8-9-15-20(17)22(18-11-4-2-5-12-18)19-13-6-3-7-14-19;/h2-15H,16H2,1H3;1H
InChIKeyXYPWOEOKSSLQTQ-UHFFFAOYSA-N
MW342.81 g/mol
LogP4.01
Rot. Bonds5

About [2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride

[2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride (PubChem CID 172850190) has the molecular formula C20H20ClOP and a molecular weight of 342.81 g/mol. Its IUPAC name is [2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride.

Molecular Properties

Compound Name[2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride
PubChem CID172850190
Molecular FormulaC20H20ClOP
Molecular Weight342.81 g/mol
Exact Mass342.09
IUPAC Name[2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride
SMILESCOCc1ccccc1P(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H19OP.ClH/c1-21-16-17-10-8-9-15-20(17)22(18-11-4-2-5-12-18)19-13-6-3-7-14-19;/h2-15H,16H2,1H3;1H
InChIKeyXYPWOEOKSSLQTQ-UHFFFAOYSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride?
The IUPAC name of [2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride (CID 172850190) is [2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride.
What is the SMILES notation for [2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride?
The canonical SMILES for [2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride is COCc1ccccc1P(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of [2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride?
The InChIKey is XYPWOEOKSSLQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19OP.ClH/c1-21-16-17-10-8-9-15-20(17)22(18-11-4-2-5-12-18)19-13-6-3-7-14-19;/h2-15H,16H2,1H3;1H.
What are the key properties of [2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride?
[2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride has a molecular weight of 342.81 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride is sourced from PubChem (CID 172850190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).