1-dimethylphosphoryl-2-methoxybenzene

C9H13O2P — CID 90152243

IUPAC1-dimethylphosphoryl-2-methoxybenzene
SMILESCOc1ccccc1P(C)(C)=O
InChIInChI=1S/C9H13O2P/c1-11-8-6-4-5-7-9(8)12(2,3)10/h4-7H,1-3H3
InChIKeyLWMXMZGVLXMBTR-UHFFFAOYSA-N
MW184.18 g/mol
LogP1.94
Rot. Bonds2

About 1-dimethylphosphoryl-2-methoxybenzene

1-dimethylphosphoryl-2-methoxybenzene (PubChem CID 90152243) has the molecular formula C9H13O2P and a molecular weight of 184.18 g/mol. Its IUPAC name is 1-dimethylphosphoryl-2-methoxybenzene.

Molecular Properties

Compound Name1-dimethylphosphoryl-2-methoxybenzene
PubChem CID90152243
Molecular FormulaC9H13O2P
Molecular Weight184.18 g/mol
Exact Mass184.07
IUPAC Name1-dimethylphosphoryl-2-methoxybenzene
SMILESCOc1ccccc1P(C)(C)=O
InChIInChI=1S/C9H13O2P/c1-11-8-6-4-5-7-9(8)12(2,3)10/h4-7H,1-3H3
InChIKeyLWMXMZGVLXMBTR-UHFFFAOYSA-N
XLogP1.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 51.94
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

copper;(2-methoxyphenyl)phosphonic acid
CID 68628754
1-[bis(2-methoxyphenyl)phosphorylmethoxymethyl-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene
CID 163210836
1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene
CID 12892172
1-[amino(phenyl)phosphoryl]-2-methoxybenzene
CID 122224691
1-[2-chloroethoxy-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene
CID 156789195
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926
1-dichlorophosphoryl-2-(2-dichlorophosphoryl-6-methoxyphenyl)-3-methoxybenzene
CID 19437372
1-[butyl(phenyl)phosphoryl]-2-methoxybenzene
CID 14663612
1-diphenylphosphoryl-2-iodo-3-methoxybenzene
CID 14906787
CID 177475534
CID 177475534
methoxy-(2-methoxyphenyl)-phenyl-sulfanylidene-λ5-phosphane
CID 134996436

Frequently Asked Questions

What is the IUPAC name of 1-dimethylphosphoryl-2-methoxybenzene?
The IUPAC name of 1-dimethylphosphoryl-2-methoxybenzene (CID 90152243) is 1-dimethylphosphoryl-2-methoxybenzene.
What is the SMILES notation for 1-dimethylphosphoryl-2-methoxybenzene?
The canonical SMILES for 1-dimethylphosphoryl-2-methoxybenzene is COc1ccccc1P(C)(C)=O.
What is the InChIKey of 1-dimethylphosphoryl-2-methoxybenzene?
The InChIKey is LWMXMZGVLXMBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O2P/c1-11-8-6-4-5-7-9(8)12(2,3)10/h4-7H,1-3H3.
What are the key properties of 1-dimethylphosphoryl-2-methoxybenzene?
1-dimethylphosphoryl-2-methoxybenzene has a molecular weight of 184.18 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylphosphoryl-2-methoxybenzene is sourced from PubChem (CID 90152243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).