butan-2-yloxy-[3-[2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholin-4-yl]propyl]phosphinic acid

C24H32Cl2NO5P — CID 88867904

IUPACbutan-2-yloxy-[3-[2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholin-4-yl]propyl]phosphinic acid
SMILESCCC(C)OP(=O)(O)CCCN1CCOC(c2ccc(OCc3c(Cl)cccc3Cl)cc2)C1
InChIInChI=1S/C24H32Cl2NO5P/c1-3-18(2)32-33(28,29)15-5-12-27-13-14-30-24(16-27)19-8-10-20(11-9-19)31-17-21-22(25)6-4-7-23(21)26/h4,6-11,18,24H,3,5,12-17H2,1-2H3,(H,28,29)
InChIKeyZWLAJPOESOKORG-UHFFFAOYSA-N
MW516.40 g/mol
LogP6.34
Rot. Bonds11

About butan-2-yloxy-[3-[2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholin-4-yl]propyl]phosphinic acid

butan-2-yloxy-[3-[2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholin-4-yl]propyl]phosphinic acid (PubChem CID 88867904) has the molecular formula C24H32Cl2NO5P and a molecular weight of 516.40 g/mol. Its IUPAC name is butan-2-yloxy-[3-[2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholin-4-yl]propyl]phosphinic acid.

Molecular Properties

Compound Namebutan-2-yloxy-[3-[2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholin-4-yl]propyl]phosphinic acid
PubChem CID88867904
Molecular FormulaC24H32Cl2NO5P
Molecular Weight516.40 g/mol
Exact Mass515.14
IUPAC Namebutan-2-yloxy-[3-[2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholin-4-yl]propyl]phosphinic acid
SMILESCCC(C)OP(=O)(O)CCCN1CCOC(c2ccc(OCc3c(Cl)cccc3Cl)cc2)C1
InChIInChI=1S/C24H32Cl2NO5P/c1-3-18(2)32-33(28,29)15-5-12-27-13-14-30-24(16-27)19-8-10-20(11-9-19)31-17-21-22(25)6-4-7-23(21)26/h4,6-11,18,24H,3,5,12-17H2,1-2H3,(H,28,29)
InChIKeyZWLAJPOESOKORG-UHFFFAOYSA-N
XLogP6.34
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.40
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butan-2-yloxy-[3-[2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholin-4-yl]propyl]phosphinic acid?
The IUPAC name of butan-2-yloxy-[3-[2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholin-4-yl]propyl]phosphinic acid (CID 88867904) is butan-2-yloxy-[3-[2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholin-4-yl]propyl]phosphinic acid.
What is the SMILES notation for butan-2-yloxy-[3-[2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholin-4-yl]propyl]phosphinic acid?
The canonical SMILES for butan-2-yloxy-[3-[2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholin-4-yl]propyl]phosphinic acid is CCC(C)OP(=O)(O)CCCN1CCOC(c2ccc(OCc3c(Cl)cccc3Cl)cc2)C1.
What is the InChIKey of butan-2-yloxy-[3-[2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholin-4-yl]propyl]phosphinic acid?
The InChIKey is ZWLAJPOESOKORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32Cl2NO5P/c1-3-18(2)32-33(28,29)15-5-12-27-13-14-30-24(16-27)19-8-10-20(11-9-19)31-17-21-22(25)6-4-7-23(21)26/h4,6-11,18,24H,3,5,12-17H2,1-2H3,(H,28,29).
What are the key properties of butan-2-yloxy-[3-[2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholin-4-yl]propyl]phosphinic acid?
butan-2-yloxy-[3-[2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholin-4-yl]propyl]phosphinic acid has a molecular weight of 516.40 g/mol, XLogP of 6.34, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy-[3-[2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholin-4-yl]propyl]phosphinic acid is sourced from PubChem (CID 88867904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).