dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]-phenylphosphanium

C32H40O2P+ — CID 146458339

IUPACdicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]-phenylphosphanium
SMILESCOc1cccc(OC)c1-c1ccccc1[P+](c1ccccc1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C32H40O2P/c1-33-29-22-14-23-30(34-2)32(29)28-21-12-13-24-31(28)35(25-15-6-3-7-16-25,26-17-8-4-9-18-26)27-19-10-5-11-20-27/h3,6-7,12-16,21-24,26-27H,4-5,8-11,17-20H2,1-2H3/q+1
InChIKeyZRCWLRMVCFIVDZ-UHFFFAOYSA-N
MW487.64 g/mol
LogP8.00
Rot. Bonds7

About dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]-phenylphosphanium

dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]-phenylphosphanium (PubChem CID 146458339) has the molecular formula C32H40O2P+ and a molecular weight of 487.64 g/mol. Its IUPAC name is dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]-phenylphosphanium.

Molecular Properties

Compound Namedicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]-phenylphosphanium
PubChem CID146458339
Molecular FormulaC32H40O2P+
Molecular Weight487.64 g/mol
Exact Mass487.28
IUPAC Namedicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]-phenylphosphanium
SMILESCOc1cccc(OC)c1-c1ccccc1[P+](c1ccccc1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C32H40O2P/c1-33-29-22-14-23-30(34-2)32(29)28-21-12-13-24-31(28)35(25-15-6-3-7-16-25,26-17-8-4-9-18-26)27-19-10-5-11-20-27/h3,6-7,12-16,21-24,26-27H,4-5,8-11,17-20H2,1-2H3/q+1
InChIKeyZRCWLRMVCFIVDZ-UHFFFAOYSA-N
XLogP8.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 58.00
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

but-2-enyl-dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium
CID 175965116
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)
CID 71494531
CID 69466165
CID 69466165
but-2-enyl-dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphanium;palladium(2+)
CID 175965117
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 174903912
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;1,3-dimethoxy-2-(2-methylphenyl)benzene
CID 158459712
[2-(4-bromo-2,6-dimethoxyphenyl)phenyl]-methyl-diphenylphosphanium
CID 175346619
(2-methoxyphenyl)-triphenylphosphanium bromide
CID 18355982
dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane
CID 20606210
CID 164898393
CID 164898393
2-dicyclohexylphosphanyl-3-(2,6-dimethoxyphenyl)benzenesulfonic acid;methane
CID 172858145
1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 70442414

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]-phenylphosphanium?
The IUPAC name of dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]-phenylphosphanium (CID 146458339) is dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]-phenylphosphanium.
What is the SMILES notation for dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]-phenylphosphanium?
The canonical SMILES for dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]-phenylphosphanium is COc1cccc(OC)c1-c1ccccc1[P+](c1ccccc1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]-phenylphosphanium?
The InChIKey is ZRCWLRMVCFIVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40O2P/c1-33-29-22-14-23-30(34-2)32(29)28-21-12-13-24-31(28)35(25-15-6-3-7-16-25,26-17-8-4-9-18-26)27-19-10-5-11-20-27/h3,6-7,12-16,21-24,26-27H,4-5,8-11,17-20H2,1-2H3/q+1.
What are the key properties of dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]-phenylphosphanium?
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]-phenylphosphanium has a molecular weight of 487.64 g/mol, XLogP of 8.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]-phenylphosphanium is sourced from PubChem (CID 146458339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).