butane;(2-fluoro-4-methoxyphenyl)methoxy-oxido-oxophosphanium

C12H18FO4P — CID 22326697

IUPACbutane;(2-fluoro-4-methoxyphenyl)methoxy-oxido-oxophosphanium
SMILESCCCC.COc1ccc(CO[P+](=O)[O-])c(F)c1
InChIInChI=1S/C8H8FO4P.C4H10/c1-12-7-3-2-6(8(9)4-7)5-13-14(10)11;1-3-4-2/h2-4H,5H2,1H3;3-4H2,1-2H3
InChIKeyOUKWQHILEGOYDC-UHFFFAOYSA-N
MW276.24 g/mol
LogP3.17
Rot. Bonds5

About butane;(2-fluoro-4-methoxyphenyl)methoxy-oxido-oxophosphanium

butane;(2-fluoro-4-methoxyphenyl)methoxy-oxido-oxophosphanium (PubChem CID 22326697) has the molecular formula C12H18FO4P and a molecular weight of 276.24 g/mol. Its IUPAC name is butane;(2-fluoro-4-methoxyphenyl)methoxy-oxido-oxophosphanium.

Molecular Properties

Compound Namebutane;(2-fluoro-4-methoxyphenyl)methoxy-oxido-oxophosphanium
PubChem CID22326697
Molecular FormulaC12H18FO4P
Molecular Weight276.24 g/mol
Exact Mass276.09
IUPAC Namebutane;(2-fluoro-4-methoxyphenyl)methoxy-oxido-oxophosphanium
SMILESCCCC.COc1ccc(CO[P+](=O)[O-])c(F)c1
InChIInChI=1S/C8H8FO4P.C4H10/c1-12-7-3-2-6(8(9)4-7)5-13-14(10)11;1-3-4-2/h2-4H,5H2,1H3;3-4H2,1-2H3
InChIKeyOUKWQHILEGOYDC-UHFFFAOYSA-N
XLogP3.17
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 59418410
CID 59418410
2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene
CID 102876837
butane;(2-fluoro-4-nitrophenyl)methoxy-hydroxy-oxophosphanium
CID 67786263
1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102876842
(2-fluoro-4-methoxyphenyl)methyl-methylazanide
CID 89077895
2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 107675360
4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline
CID 102878273
2-fluoro-6-[(2-fluoro-4-methoxyphenyl)methoxy]naphthalene
CID 139853874
N-[3-(2-fluoro-4-methoxyphenyl)propyl]-2-methylpropan-2-amine
CID 103396732
N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125
(2-fluoro-4-methoxyphenyl)methyl 2,4-diaminobenzoate
CID 102878337
(2-fluoro-4-methoxyphenyl)methyl 4-aminobenzoate
CID 102878330

Frequently Asked Questions

What is the IUPAC name of butane;(2-fluoro-4-methoxyphenyl)methoxy-oxido-oxophosphanium?
The IUPAC name of butane;(2-fluoro-4-methoxyphenyl)methoxy-oxido-oxophosphanium (CID 22326697) is butane;(2-fluoro-4-methoxyphenyl)methoxy-oxido-oxophosphanium.
What is the SMILES notation for butane;(2-fluoro-4-methoxyphenyl)methoxy-oxido-oxophosphanium?
The canonical SMILES for butane;(2-fluoro-4-methoxyphenyl)methoxy-oxido-oxophosphanium is CCCC.COc1ccc(CO[P+](=O)[O-])c(F)c1.
What is the InChIKey of butane;(2-fluoro-4-methoxyphenyl)methoxy-oxido-oxophosphanium?
The InChIKey is OUKWQHILEGOYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FO4P.C4H10/c1-12-7-3-2-6(8(9)4-7)5-13-14(10)11;1-3-4-2/h2-4H,5H2,1H3;3-4H2,1-2H3.
What are the key properties of butane;(2-fluoro-4-methoxyphenyl)methoxy-oxido-oxophosphanium?
butane;(2-fluoro-4-methoxyphenyl)methoxy-oxido-oxophosphanium has a molecular weight of 276.24 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(2-fluoro-4-methoxyphenyl)methoxy-oxido-oxophosphanium is sourced from PubChem (CID 22326697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).