(5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium

C33H30O2P+ — CID 122368996

IUPAC(5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium
SMILESCOc1ccc(OCc2ccccc2)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C33H30O2P/c1-34-29-22-23-33(35-25-27-14-6-2-7-15-27)28(24-29)26-36(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32/h2-24H,25-26H2,1H3/q+1
InChIKeyPXMLNHRQQZTEOI-UHFFFAOYSA-N
MW489.58 g/mol
LogP6.77
Rot. Bonds9

About (5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium

(5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium (PubChem CID 122368996) has the molecular formula C33H30O2P+ and a molecular weight of 489.58 g/mol. Its IUPAC name is (5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium.

Molecular Properties

Compound Name(5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium
PubChem CID122368996
Molecular FormulaC33H30O2P+
Molecular Weight489.58 g/mol
Exact Mass489.20
IUPAC Name(5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium
SMILESCOc1ccc(OCc2ccccc2)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C33H30O2P/c1-34-29-22-23-33(35-25-27-14-6-2-7-15-27)28(24-29)26-36(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32/h2-24H,25-26H2,1H3/q+1
InChIKeyPXMLNHRQQZTEOI-UHFFFAOYSA-N
XLogP6.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 56.77
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

triphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride
CID 19423967
(2-chloro-5-methoxyphenyl)methyl-triphenylphosphanium
CID 58901861
2-ethynyl-4-methoxy-1-phenylmethoxybenzene
CID 154814757
1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
CID 170864797
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene
CID 43268081
1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine
CID 60906463
triphenyl-[(2,4,5-trimethoxyphenyl)methyl]phosphanium;chloride;hydrate
CID 139062047
4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene
CID 68966556
4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene
CID 101010762
[2-[2-[4-(methoxymethoxy)-2-phenylmethoxyphenyl]-2-oxoethoxy]-4-phenylmethoxyphenyl]methyl-triphenylphosphanium
CID 25138447
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium?
The IUPAC name of (5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium (CID 122368996) is (5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium.
What is the SMILES notation for (5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium?
The canonical SMILES for (5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium is COc1ccc(OCc2ccccc2)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium?
The InChIKey is PXMLNHRQQZTEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30O2P/c1-34-29-22-23-33(35-25-27-14-6-2-7-15-27)28(24-29)26-36(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32/h2-24H,25-26H2,1H3/q+1.
What are the key properties of (5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium?
(5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium has a molecular weight of 489.58 g/mol, XLogP of 6.77, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium is sourced from PubChem (CID 122368996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).