1-dibutylphosphoryl-2-methoxybenzene

C15H25O2P — CID 15651948

IUPAC1-dibutylphosphoryl-2-methoxybenzene
SMILESCCCCP(=O)(CCCC)c1ccccc1OC
InChIInChI=1S/C15H25O2P/c1-4-6-12-18(16,13-7-5-2)15-11-9-8-10-14(15)17-3/h8-11H,4-7,12-13H2,1-3H3
InChIKeyIXWZZMSRBHVXMU-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.28
Rot. Bonds8

About 1-dibutylphosphoryl-2-methoxybenzene

1-dibutylphosphoryl-2-methoxybenzene (PubChem CID 15651948) has the molecular formula C15H25O2P and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-dibutylphosphoryl-2-methoxybenzene.

Molecular Properties

Compound Name1-dibutylphosphoryl-2-methoxybenzene
PubChem CID15651948
Molecular FormulaC15H25O2P
Molecular Weight268.34 g/mol
Exact Mass268.16
IUPAC Name1-dibutylphosphoryl-2-methoxybenzene
SMILESCCCCP(=O)(CCCC)c1ccccc1OC
InChIInChI=1S/C15H25O2P/c1-4-6-12-18(16,13-7-5-2)15-11-9-8-10-14(15)17-3/h8-11H,4-7,12-13H2,1-3H3
InChIKeyIXWZZMSRBHVXMU-UHFFFAOYSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.28
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

1,2-bis(dibutylphosphoryl)benzene
CID 138549467
1-[butyl(phenyl)phosphoryl]-2-methoxybenzene
CID 14663612
2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene
CID 91739119
1-dimethylphosphoryl-2-methoxybenzene
CID 90152243
1-[bis(2-methoxyphenyl)phosphorylmethoxymethyl-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene
CID 163210836
copper;(2-methoxyphenyl)phosphonic acid
CID 68628754
[butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183630
2-[[(2,6-dimethoxyphenyl)methyl-octylphosphoryl]methyl]-1,3-dimethoxybenzene
CID 151808322
1,3-bis(dibutylphosphoryl)benzene
CID 23418369
1-[2-chloroethoxy-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene
CID 156789195
1-[amino(phenyl)phosphoryl]-2-methoxybenzene
CID 122224691
2-diphenylphosphoryl-6-methoxy-N-propylaniline
CID 175667588

Frequently Asked Questions

What is the IUPAC name of 1-dibutylphosphoryl-2-methoxybenzene?
The IUPAC name of 1-dibutylphosphoryl-2-methoxybenzene (CID 15651948) is 1-dibutylphosphoryl-2-methoxybenzene.
What is the SMILES notation for 1-dibutylphosphoryl-2-methoxybenzene?
The canonical SMILES for 1-dibutylphosphoryl-2-methoxybenzene is CCCCP(=O)(CCCC)c1ccccc1OC.
What is the InChIKey of 1-dibutylphosphoryl-2-methoxybenzene?
The InChIKey is IXWZZMSRBHVXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O2P/c1-4-6-12-18(16,13-7-5-2)15-11-9-8-10-14(15)17-3/h8-11H,4-7,12-13H2,1-3H3.
What are the key properties of 1-dibutylphosphoryl-2-methoxybenzene?
1-dibutylphosphoryl-2-methoxybenzene has a molecular weight of 268.34 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibutylphosphoryl-2-methoxybenzene is sourced from PubChem (CID 15651948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).