2-phosphorosooxybutoxybenzene

C10H13O3P — CID 175007950

IUPAC2-phosphorosooxybutoxybenzene
SMILESCCC(COc1ccccc1)OP=O
InChIInChI=1S/C10H13O3P/c1-2-9(13-14-11)8-12-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChIKeyAOXUVDCJAHQVMJ-UHFFFAOYSA-N
MW212.19 g/mol
LogP3.07
Rot. Bonds6

About 2-phosphorosooxybutoxybenzene

2-phosphorosooxybutoxybenzene (PubChem CID 175007950) has the molecular formula C10H13O3P and a molecular weight of 212.19 g/mol. Its IUPAC name is 2-phosphorosooxybutoxybenzene.

Molecular Properties

Compound Name2-phosphorosooxybutoxybenzene
PubChem CID175007950
Molecular FormulaC10H13O3P
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name2-phosphorosooxybutoxybenzene
SMILESCCC(COc1ccccc1)OP=O
InChIInChI=1S/C10H13O3P/c1-2-9(13-14-11)8-12-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChIKeyAOXUVDCJAHQVMJ-UHFFFAOYSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-4-(3-phenoxy-2-phosphorosooxypropoxy)benzene
CID 121477759
1-phenoxybutan-2-yl N-propylcarbamate
CID 143240308
(1-methoxy-3-phenoxypropan-2-yl) dihydrogen phosphate
CID 21023120
1-phenoxydecan-2-yl dihydrogen phosphate
CID 122612592
butane;phosphorosooxybenzene
CID 69253491
CID 142401703
CID 142401703
1-phenoxy-N-propan-2-ylbutan-2-amine
CID 115905778
ethane;1-phenoxypropan-2-ol;propane
CID 90979198
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349
(1-methoxy-3-phenoxypropan-2-yl) propane-1-sulfonate
CID 54119319
2-ethoxy-3-phenoxypropanoic acid
CID 63074298
(3-methyl-1-phenoxypentan-2-yl)hydrazine
CID 105213082

Frequently Asked Questions

What is the IUPAC name of 2-phosphorosooxybutoxybenzene?
The IUPAC name of 2-phosphorosooxybutoxybenzene (CID 175007950) is 2-phosphorosooxybutoxybenzene.
What is the SMILES notation for 2-phosphorosooxybutoxybenzene?
The canonical SMILES for 2-phosphorosooxybutoxybenzene is CCC(COc1ccccc1)OP=O.
What is the InChIKey of 2-phosphorosooxybutoxybenzene?
The InChIKey is AOXUVDCJAHQVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O3P/c1-2-9(13-14-11)8-12-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3.
What are the key properties of 2-phosphorosooxybutoxybenzene?
2-phosphorosooxybutoxybenzene has a molecular weight of 212.19 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphorosooxybutoxybenzene is sourced from PubChem (CID 175007950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).