(3-methoxyphenyl)methyl-tris(3-methylphenyl)phosphanium

C29H30OP+ — CID 18958181

IUPAC(3-methoxyphenyl)methyl-tris(3-methylphenyl)phosphanium
SMILESCOc1cccc(C[P+](c2cccc(C)c2)(c2cccc(C)c2)c2cccc(C)c2)c1
InChIInChI=1S/C29H30OP/c1-22-9-5-14-27(17-22)31(28-15-6-10-23(2)18-28,29-16-7-11-24(3)19-29)21-25-12-8-13-26(20-25)30-4/h5-20H,21H2,1-4H3/q+1
InChIKeyPQWUZDRZFNBHBL-UHFFFAOYSA-N
MW425.53 g/mol
LogP6.11
Rot. Bonds6

About (3-methoxyphenyl)methyl-tris(3-methylphenyl)phosphanium

(3-methoxyphenyl)methyl-tris(3-methylphenyl)phosphanium (PubChem CID 18958181) has the molecular formula C29H30OP+ and a molecular weight of 425.53 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl-tris(3-methylphenyl)phosphanium.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl-tris(3-methylphenyl)phosphanium
PubChem CID18958181
Molecular FormulaC29H30OP+
Molecular Weight425.53 g/mol
Exact Mass425.20
IUPAC Name(3-methoxyphenyl)methyl-tris(3-methylphenyl)phosphanium
SMILESCOc1cccc(C[P+](c2cccc(C)c2)(c2cccc(C)c2)c2cccc(C)c2)c1
InChIInChI=1S/C29H30OP/c1-22-9-5-14-27(17-22)31(28-15-6-10-23(2)18-28,29-16-7-11-24(3)19-29)21-25-12-8-13-26(20-25)30-4/h5-20H,21H2,1-4H3/q+1
InChIKeyPQWUZDRZFNBHBL-UHFFFAOYSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium
CID 91016846
1-[1-chloro-3-(3-methoxyphenyl)propan-2-yl]-3-methylbenzene
CID 79417926
(3,4-dichlorophenyl)methyl-tris(3-methylphenyl)phosphanium chloride
CID 19009660
2-(3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43197699
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
(3-methoxyphenyl)methyl-tris(2-methylphenyl)phosphanium acetate
CID 157058083
2-(3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 55006586
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-4-methylbenzene
CID 63437571
2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid
CID 133148719
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60797782
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl-tris(3-methylphenyl)phosphanium?
The IUPAC name of (3-methoxyphenyl)methyl-tris(3-methylphenyl)phosphanium (CID 18958181) is (3-methoxyphenyl)methyl-tris(3-methylphenyl)phosphanium.
What is the SMILES notation for (3-methoxyphenyl)methyl-tris(3-methylphenyl)phosphanium?
The canonical SMILES for (3-methoxyphenyl)methyl-tris(3-methylphenyl)phosphanium is COc1cccc(C[P+](c2cccc(C)c2)(c2cccc(C)c2)c2cccc(C)c2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl-tris(3-methylphenyl)phosphanium?
The InChIKey is PQWUZDRZFNBHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30OP/c1-22-9-5-14-27(17-22)31(28-15-6-10-23(2)18-28,29-16-7-11-24(3)19-29)21-25-12-8-13-26(20-25)30-4/h5-20H,21H2,1-4H3/q+1.
What are the key properties of (3-methoxyphenyl)methyl-tris(3-methylphenyl)phosphanium?
(3-methoxyphenyl)methyl-tris(3-methylphenyl)phosphanium has a molecular weight of 425.53 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl-tris(3-methylphenyl)phosphanium is sourced from PubChem (CID 18958181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).