1-dimethylarsoryloxy-2-methoxybenzene

C9H13AsO3 — CID 25021716

IUPAC1-dimethylarsoryloxy-2-methoxybenzene
SMILESCOc1ccccc1O[As](C)(C)=O
InChIInChI=1S/C9H13AsO3/c1-10(2,11)13-9-7-5-4-6-8(9)12-3/h4-7H,1-3H3
InChIKeyZSHYQCDUUBZWFA-UHFFFAOYSA-N
MW244.12 g/mol
LogP2.21
Rot. Bonds3

About 1-dimethylarsoryloxy-2-methoxybenzene

1-dimethylarsoryloxy-2-methoxybenzene (PubChem CID 25021716) has the molecular formula C9H13AsO3 and a molecular weight of 244.12 g/mol. Its IUPAC name is 1-dimethylarsoryloxy-2-methoxybenzene.

Molecular Properties

Compound Name1-dimethylarsoryloxy-2-methoxybenzene
PubChem CID25021716
Molecular FormulaC9H13AsO3
Molecular Weight244.12 g/mol
Exact Mass244.01
IUPAC Name1-dimethylarsoryloxy-2-methoxybenzene
SMILESCOc1ccccc1O[As](C)(C)=O
InChIInChI=1S/C9H13AsO3/c1-10(2,11)13-9-7-5-4-6-8(9)12-3/h4-7H,1-3H3
InChIKeyZSHYQCDUUBZWFA-UHFFFAOYSA-N
XLogP2.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
1,2-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173306958
1-methoxy-2-methyliodanuidyloxybenzene
CID 163592566
1,2-dimethoxybenzene;propanal
CID 174258099
1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene
CID 1380018
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
bis(cyclopenta-1,3-diene);1,2-dimethoxybenzene
CID 170157168
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
(2-methoxyphenyl)boronic acid
CID 2733958
2-(2-methoxyphenoxy)propanal
CID 123413169
2-(2-methoxyphenoxy)-2-oxoacetic acid
CID 14886364

Frequently Asked Questions

What is the IUPAC name of 1-dimethylarsoryloxy-2-methoxybenzene?
The IUPAC name of 1-dimethylarsoryloxy-2-methoxybenzene (CID 25021716) is 1-dimethylarsoryloxy-2-methoxybenzene.
What is the SMILES notation for 1-dimethylarsoryloxy-2-methoxybenzene?
The canonical SMILES for 1-dimethylarsoryloxy-2-methoxybenzene is COc1ccccc1O[As](C)(C)=O.
What is the InChIKey of 1-dimethylarsoryloxy-2-methoxybenzene?
The InChIKey is ZSHYQCDUUBZWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13AsO3/c1-10(2,11)13-9-7-5-4-6-8(9)12-3/h4-7H,1-3H3.
What are the key properties of 1-dimethylarsoryloxy-2-methoxybenzene?
1-dimethylarsoryloxy-2-methoxybenzene has a molecular weight of 244.12 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylarsoryloxy-2-methoxybenzene is sourced from PubChem (CID 25021716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).