butane;(3-chlorophenyl)methoxy-hydroxy-oxophosphanium

C11H17ClO3P+ — CID 69394287

IUPACbutane;(3-chlorophenyl)methoxy-hydroxy-oxophosphanium
SMILESCCCC.O=[P+](O)OCc1cccc(Cl)c1
InChIInChI=1S/C7H6ClO3P.C4H10/c8-7-3-1-2-6(4-7)5-11-12(9)10;1-3-4-2/h1-4H,5H2;3-4H2,1-2H3/p+1
InChIKeyDVAZARBJVHLSOF-UHFFFAOYSA-O
MW263.68 g/mol
LogP4.31
Rot. Bonds4

About butane;(3-chlorophenyl)methoxy-hydroxy-oxophosphanium

butane;(3-chlorophenyl)methoxy-hydroxy-oxophosphanium (PubChem CID 69394287) has the molecular formula C11H17ClO3P+ and a molecular weight of 263.68 g/mol. Its IUPAC name is butane;(3-chlorophenyl)methoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Namebutane;(3-chlorophenyl)methoxy-hydroxy-oxophosphanium
PubChem CID69394287
Molecular FormulaC11H17ClO3P+
Molecular Weight263.68 g/mol
Exact Mass263.06
IUPAC Namebutane;(3-chlorophenyl)methoxy-hydroxy-oxophosphanium
SMILESCCCC.O=[P+](O)OCc1cccc(Cl)c1
InChIInChI=1S/C7H6ClO3P.C4H10/c8-7-3-1-2-6(4-7)5-11-12(9)10;1-3-4-2/h1-4H,5H2;3-4H2,1-2H3/p+1
InChIKeyDVAZARBJVHLSOF-UHFFFAOYSA-O
XLogP4.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
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2-[(3-chlorophenyl)methoxy]pentanoic acid
CID 83038083
(3-chlorophenyl)methyl 2-carbonochloridoyl-2-ethylbutanoate
CID 91712545
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 65125794
CID 140744023
CID 140744023
(3-chlorophenyl)methyl 2-methoxyacetate
CID 142607419
(3-chlorophenyl)methyl 2-amino-2-methylpropanoate
CID 65126970
4-O-[(3-chlorophenyl)methyl] 1-O-pentyl benzene-1,4-dicarboxylate
CID 91735460
4-O-[(3-chlorophenyl)methyl] 1-O-pentadecyl butanedioate
CID 91712459
1-chloro-3-propylbenzene;formyl chloride
CID 174310499
CID 140743910
CID 140743910

Frequently Asked Questions

What is the IUPAC name of butane;(3-chlorophenyl)methoxy-hydroxy-oxophosphanium?
The IUPAC name of butane;(3-chlorophenyl)methoxy-hydroxy-oxophosphanium (CID 69394287) is butane;(3-chlorophenyl)methoxy-hydroxy-oxophosphanium.
What is the SMILES notation for butane;(3-chlorophenyl)methoxy-hydroxy-oxophosphanium?
The canonical SMILES for butane;(3-chlorophenyl)methoxy-hydroxy-oxophosphanium is CCCC.O=[P+](O)OCc1cccc(Cl)c1.
What is the InChIKey of butane;(3-chlorophenyl)methoxy-hydroxy-oxophosphanium?
The InChIKey is DVAZARBJVHLSOF-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H6ClO3P.C4H10/c8-7-3-1-2-6(4-7)5-11-12(9)10;1-3-4-2/h1-4H,5H2;3-4H2,1-2H3/p+1.
What are the key properties of butane;(3-chlorophenyl)methoxy-hydroxy-oxophosphanium?
butane;(3-chlorophenyl)methoxy-hydroxy-oxophosphanium has a molecular weight of 263.68 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(3-chlorophenyl)methoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 69394287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).