[2-(2-iodonio-3,4-dimethoxyphenyl)-4-phenyl-3,5-dipropylphenyl]-methylphosphanium

C27H34IO2P+2 — CID 144800257

IUPAC[2-(2-iodonio-3,4-dimethoxyphenyl)-4-phenyl-3,5-dipropylphenyl]-methylphosphanium
SMILESCCCc1cc([PH2+]C)c(-c2ccc(OC)c(OC)c2[IH+])c(CCC)c1-c1ccccc1
InChIInChI=1S/C27H33IO2P/c1-6-11-19-17-23(31-5)25(21-15-16-22(29-3)27(30-4)26(21)28)20(12-7-2)24(19)18-13-9-8-10-14-18/h8-10,13-17,28,31H,6-7,11-12H2,1-5H3/q+1/p+1
InChIKeyJWFVARKFQKKQQP-UHFFFAOYSA-O
MW548.45 g/mol
LogP3.06
Rot. Bonds9

About [2-(2-iodonio-3,4-dimethoxyphenyl)-4-phenyl-3,5-dipropylphenyl]-methylphosphanium

[2-(2-iodonio-3,4-dimethoxyphenyl)-4-phenyl-3,5-dipropylphenyl]-methylphosphanium (PubChem CID 144800257) has the molecular formula C27H34IO2P+2 and a molecular weight of 548.45 g/mol. Its IUPAC name is [2-(2-iodonio-3,4-dimethoxyphenyl)-4-phenyl-3,5-dipropylphenyl]-methylphosphanium.

Molecular Properties

Compound Name[2-(2-iodonio-3,4-dimethoxyphenyl)-4-phenyl-3,5-dipropylphenyl]-methylphosphanium
PubChem CID144800257
Molecular FormulaC27H34IO2P+2
Molecular Weight548.45 g/mol
Exact Mass548.13
IUPAC Name[2-(2-iodonio-3,4-dimethoxyphenyl)-4-phenyl-3,5-dipropylphenyl]-methylphosphanium
SMILESCCCc1cc([PH2+]C)c(-c2ccc(OC)c(OC)c2[IH+])c(CCC)c1-c1ccccc1
InChIInChI=1S/C27H33IO2P/c1-6-11-19-17-23(31-5)25(21-15-16-22(29-3)27(30-4)26(21)28)20(12-7-2)24(19)18-13-9-8-10-14-18/h8-10,13-17,28,31H,6-7,11-12H2,1-5H3/q+1/p+1
InChIKeyJWFVARKFQKKQQP-UHFFFAOYSA-O
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene
CID 123205311
CID 159925855
CID 159925855
2-phenyl-1,3,5-tripropylbenzene
CID 91174687
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
6-methoxy-1-phenoxy-2-phenyl-3-propylnaphthalene
CID 141134485
5,6-dimethoxy-1,3-diphenylnaphthalen-2-ol
CID 10915274
1,2,3,4-tetraphenyl-5,6-dipropylbenzene
CID 102026610
1,3-bis(4-methoxy-3-methylphenyl)-2-phenoxy-4-propylbenzene
CID 57098205
(4-methoxy-3-propylphenyl)-(4-phenylphenyl)methanone
CID 166044935
2,4-dimethoxy-1,3-bis(4-methoxy-3-methylphenyl)-5-propylbenzene
CID 173310858
1-[4-(10-phenylanthracen-9-yl)-2,5-dipropylphenyl]pyrene
CID 171415214
1-methoxy-2-propylnaphthalene
CID 19091368

Frequently Asked Questions

What is the IUPAC name of [2-(2-iodonio-3,4-dimethoxyphenyl)-4-phenyl-3,5-dipropylphenyl]-methylphosphanium?
The IUPAC name of [2-(2-iodonio-3,4-dimethoxyphenyl)-4-phenyl-3,5-dipropylphenyl]-methylphosphanium (CID 144800257) is [2-(2-iodonio-3,4-dimethoxyphenyl)-4-phenyl-3,5-dipropylphenyl]-methylphosphanium.
What is the SMILES notation for [2-(2-iodonio-3,4-dimethoxyphenyl)-4-phenyl-3,5-dipropylphenyl]-methylphosphanium?
The canonical SMILES for [2-(2-iodonio-3,4-dimethoxyphenyl)-4-phenyl-3,5-dipropylphenyl]-methylphosphanium is CCCc1cc([PH2+]C)c(-c2ccc(OC)c(OC)c2[IH+])c(CCC)c1-c1ccccc1.
What is the InChIKey of [2-(2-iodonio-3,4-dimethoxyphenyl)-4-phenyl-3,5-dipropylphenyl]-methylphosphanium?
The InChIKey is JWFVARKFQKKQQP-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H33IO2P/c1-6-11-19-17-23(31-5)25(21-15-16-22(29-3)27(30-4)26(21)28)20(12-7-2)24(19)18-13-9-8-10-14-18/h8-10,13-17,28,31H,6-7,11-12H2,1-5H3/q+1/p+1.
What are the key properties of [2-(2-iodonio-3,4-dimethoxyphenyl)-4-phenyl-3,5-dipropylphenyl]-methylphosphanium?
[2-(2-iodonio-3,4-dimethoxyphenyl)-4-phenyl-3,5-dipropylphenyl]-methylphosphanium has a molecular weight of 548.45 g/mol, XLogP of 3.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-iodonio-3,4-dimethoxyphenyl)-4-phenyl-3,5-dipropylphenyl]-methylphosphanium is sourced from PubChem (CID 144800257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).