1-diphenylphosphoryl-2-iodo-3-methoxybenzene

C19H16IO2P — CID 14906787

IUPAC1-diphenylphosphoryl-2-iodo-3-methoxybenzene
SMILESCOc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1I
InChIInChI=1S/C19H16IO2P/c1-22-17-13-8-14-18(19(17)20)23(21,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14H,1H3
InChIKeyYYTIYKMCILAGTH-UHFFFAOYSA-N
MW434.21 g/mol
LogP3.94
Rot. Bonds4

About 1-diphenylphosphoryl-2-iodo-3-methoxybenzene

1-diphenylphosphoryl-2-iodo-3-methoxybenzene (PubChem CID 14906787) has the molecular formula C19H16IO2P and a molecular weight of 434.21 g/mol. Its IUPAC name is 1-diphenylphosphoryl-2-iodo-3-methoxybenzene.

Molecular Properties

Compound Name1-diphenylphosphoryl-2-iodo-3-methoxybenzene
PubChem CID14906787
Molecular FormulaC19H16IO2P
Molecular Weight434.21 g/mol
Exact Mass433.99
IUPAC Name1-diphenylphosphoryl-2-iodo-3-methoxybenzene
SMILESCOc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1I
InChIInChI=1S/C19H16IO2P/c1-22-17-13-8-14-18(19(17)20)23(21,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14H,1H3
InChIKeyYYTIYKMCILAGTH-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.21
LogP ≤ 53.94
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-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane
CID 144799075
2-diphenylphosphoryl-6-methoxy-N-propylaniline
CID 175667588
1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 46939365
1-[amino(phenyl)phosphoryl]-2-methoxybenzene
CID 122224691
2-diphenylphosphoryl-1,4-dimethoxybenzene
CID 15129135
4-diphenylphosphoryl-1-iodo-2-methoxybenzene
CID 10884572
1-diphenylphosphoryl-3-ethyl-2-methoxybenzene
CID 11151842
N-(2-diphenylphosphoryl-6-methoxyphenyl)adamantan-1-amine
CID 54769664
CID 177475534
CID 177475534
1-dimethylphosphoryl-2-methoxybenzene
CID 90152243
5-tert-butyl-1-[(2R,4R)-4-(5-tert-butyl-3-diphenylphosphoryl-2-iodophenoxy)pentan-2-yl]oxy-3-diphenylphosphoryl-2-iodobenzene
CID 102280356
N-(3-diphenylphosphoryl-4-methoxyphenyl)acetamide
CID 3921981

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-2-iodo-3-methoxybenzene?
The IUPAC name of 1-diphenylphosphoryl-2-iodo-3-methoxybenzene (CID 14906787) is 1-diphenylphosphoryl-2-iodo-3-methoxybenzene.
What is the SMILES notation for 1-diphenylphosphoryl-2-iodo-3-methoxybenzene?
The canonical SMILES for 1-diphenylphosphoryl-2-iodo-3-methoxybenzene is COc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1I.
What is the InChIKey of 1-diphenylphosphoryl-2-iodo-3-methoxybenzene?
The InChIKey is YYTIYKMCILAGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16IO2P/c1-22-17-13-8-14-18(19(17)20)23(21,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14H,1H3.
What are the key properties of 1-diphenylphosphoryl-2-iodo-3-methoxybenzene?
1-diphenylphosphoryl-2-iodo-3-methoxybenzene has a molecular weight of 434.21 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-2-iodo-3-methoxybenzene is sourced from PubChem (CID 14906787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).