1-iodo-4-methoxy-2-(nitrosomethyl)-5-phenylmethoxybenzene

C15H14INO3 — CID 90921547

IUPAC1-iodo-4-methoxy-2-(nitrosomethyl)-5-phenylmethoxybenzene
SMILESCOc1cc(CN=O)c(I)cc1OCc1ccccc1
InChIInChI=1S/C15H14INO3/c1-19-14-7-12(9-17-18)13(16)8-15(14)20-10-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3
InChIKeyOAZGOCGQGFGSDF-UHFFFAOYSA-N
MW383.19 g/mol
LogP4.15
Rot. Bonds6

About 1-iodo-4-methoxy-2-(nitrosomethyl)-5-phenylmethoxybenzene

1-iodo-4-methoxy-2-(nitrosomethyl)-5-phenylmethoxybenzene (PubChem CID 90921547) has the molecular formula C15H14INO3 and a molecular weight of 383.19 g/mol. Its IUPAC name is 1-iodo-4-methoxy-2-(nitrosomethyl)-5-phenylmethoxybenzene.

Molecular Properties

Compound Name1-iodo-4-methoxy-2-(nitrosomethyl)-5-phenylmethoxybenzene
PubChem CID90921547
Molecular FormulaC15H14INO3
Molecular Weight383.19 g/mol
Exact Mass383.00
IUPAC Name1-iodo-4-methoxy-2-(nitrosomethyl)-5-phenylmethoxybenzene
SMILESCOc1cc(CN=O)c(I)cc1OCc1ccccc1
InChIInChI=1S/C15H14INO3/c1-19-14-7-12(9-17-18)13(16)8-15(14)20-10-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3
InChIKeyOAZGOCGQGFGSDF-UHFFFAOYSA-N
XLogP4.15
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene
CID 126540380
1-(2,2-dimethoxyethyl)-2-iodo-5-methoxy-4-phenylmethoxybenzene
CID 15240745
1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
CID 12062736
1-ethyl-5-methoxy-4-phenylmethoxy-2-propan-2-ylbenzene
CID 121405987
3-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal
CID 71658250
(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
CID 53441132
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
N-[2-hydroxy-2-(2-iodo-4-methoxy-5-phenylmethoxyphenyl)ethyl]formamide
CID 23258951
1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene
CID 11143485
5-(nitrosomethyl)-2-phenylmethoxybenzoic acid
CID 57013036
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
3-methoxy-4-phenylmethoxyaniline
CID 27226

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-methoxy-2-(nitrosomethyl)-5-phenylmethoxybenzene?
The IUPAC name of 1-iodo-4-methoxy-2-(nitrosomethyl)-5-phenylmethoxybenzene (CID 90921547) is 1-iodo-4-methoxy-2-(nitrosomethyl)-5-phenylmethoxybenzene.
What is the SMILES notation for 1-iodo-4-methoxy-2-(nitrosomethyl)-5-phenylmethoxybenzene?
The canonical SMILES for 1-iodo-4-methoxy-2-(nitrosomethyl)-5-phenylmethoxybenzene is COc1cc(CN=O)c(I)cc1OCc1ccccc1.
What is the InChIKey of 1-iodo-4-methoxy-2-(nitrosomethyl)-5-phenylmethoxybenzene?
The InChIKey is OAZGOCGQGFGSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO3/c1-19-14-7-12(9-17-18)13(16)8-15(14)20-10-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3.
What are the key properties of 1-iodo-4-methoxy-2-(nitrosomethyl)-5-phenylmethoxybenzene?
1-iodo-4-methoxy-2-(nitrosomethyl)-5-phenylmethoxybenzene has a molecular weight of 383.19 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-methoxy-2-(nitrosomethyl)-5-phenylmethoxybenzene is sourced from PubChem (CID 90921547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).