[2-[(2-methoxy-1-phenylethoxy)methyl]phenyl]-diphenylphosphane

C28H27O2P — CID 23413693

IUPAC[2-[(2-methoxy-1-phenylethoxy)methyl]phenyl]-diphenylphosphane
SMILESCOCC(OCc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H27O2P/c1-29-22-27(23-13-5-2-6-14-23)30-21-24-15-11-12-20-28(24)31(25-16-7-3-8-17-25)26-18-9-4-10-19-26/h2-20,27H,21-22H2,1H3
InChIKeyQSVNUOUMPXCEHC-UHFFFAOYSA-N
MW426.50 g/mol
LogP5.35
Rot. Bonds9

About [2-[(2-methoxy-1-phenylethoxy)methyl]phenyl]-diphenylphosphane

[2-[(2-methoxy-1-phenylethoxy)methyl]phenyl]-diphenylphosphane (PubChem CID 23413693) has the molecular formula C28H27O2P and a molecular weight of 426.50 g/mol. Its IUPAC name is [2-[(2-methoxy-1-phenylethoxy)methyl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[(2-methoxy-1-phenylethoxy)methyl]phenyl]-diphenylphosphane
PubChem CID23413693
Molecular FormulaC28H27O2P
Molecular Weight426.50 g/mol
Exact Mass426.17
IUPAC Name[2-[(2-methoxy-1-phenylethoxy)methyl]phenyl]-diphenylphosphane
SMILESCOCC(OCc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H27O2P/c1-29-22-27(23-13-5-2-6-14-23)30-21-24-15-11-12-20-28(24)31(25-16-7-3-8-17-25)26-18-9-4-10-19-26/h2-20,27H,21-22H2,1H3
InChIKeyQSVNUOUMPXCEHC-UHFFFAOYSA-N
XLogP5.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride
CID 172850190
O-(2-methoxy-1-phenylethyl)hydroxylamine
CID 14103730
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
(2-ethylphenyl)-diphenylphosphane;hydrobromide
CID 172692670
(2R)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 89057700
[(1R)-2-methoxy-1-phenylethyl] acetate
CID 101055201
(2-pentylphenyl)-diphenylphosphane
CID 22731138
(2-butylphenyl)-diphenylphosphane;hydrobromide
CID 173070100
lithium (2-diphenylphosphanylphenyl)methanolate
CID 102445042
[2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride
CID 172706250
2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol
CID 155445648
[2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide
CID 172706183

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxy-1-phenylethoxy)methyl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[(2-methoxy-1-phenylethoxy)methyl]phenyl]-diphenylphosphane (CID 23413693) is [2-[(2-methoxy-1-phenylethoxy)methyl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[(2-methoxy-1-phenylethoxy)methyl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[(2-methoxy-1-phenylethoxy)methyl]phenyl]-diphenylphosphane is COCC(OCc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[(2-methoxy-1-phenylethoxy)methyl]phenyl]-diphenylphosphane?
The InChIKey is QSVNUOUMPXCEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27O2P/c1-29-22-27(23-13-5-2-6-14-23)30-21-24-15-11-12-20-28(24)31(25-16-7-3-8-17-25)26-18-9-4-10-19-26/h2-20,27H,21-22H2,1H3.
What are the key properties of [2-[(2-methoxy-1-phenylethoxy)methyl]phenyl]-diphenylphosphane?
[2-[(2-methoxy-1-phenylethoxy)methyl]phenyl]-diphenylphosphane has a molecular weight of 426.50 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxy-1-phenylethoxy)methyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 23413693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).