1-[2-[2-(2-methoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanone

C19H23O2P — CID 71040189

IUPAC1-[2-[2-(2-methoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanone
SMILESCCC(C)(Pc1ccccc1C(C)=O)c1ccccc1OC
InChIInChI=1S/C19H23O2P/c1-5-19(3,16-11-7-8-12-17(16)21-4)22-18-13-9-6-10-15(18)14(2)20/h6-13,22H,5H2,1-4H3
InChIKeyBUNSFXTXUXZORK-UHFFFAOYSA-N
MW314.37 g/mol
LogP4.53
Rot. Bonds6

About 1-[2-[2-(2-methoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanone

1-[2-[2-(2-methoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanone (PubChem CID 71040189) has the molecular formula C19H23O2P and a molecular weight of 314.37 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanone
PubChem CID71040189
Molecular FormulaC19H23O2P
Molecular Weight314.37 g/mol
Exact Mass314.14
IUPAC Name1-[2-[2-(2-methoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanone
SMILESCCC(C)(Pc1ccccc1C(C)=O)c1ccccc1OC
InChIInChI=1S/C19H23O2P/c1-5-19(3,16-11-7-8-12-17(16)21-4)22-18-13-9-6-10-15(18)14(2)20/h6-13,22H,5H2,1-4H3
InChIKeyBUNSFXTXUXZORK-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 54.53
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-[2-(5-tert-butyl-2-methoxy-3-methylphenyl)pentan-2-ylphosphanyl]phenyl]ethanone
CID 70807366
(2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
CID 71040209
(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
1-[2-[3-(5-tert-butyl-2-methoxy-3-methylphenyl)octan-3-ylphosphanyl]phenyl]ethanone
CID 71191817
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
(3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one
CID 102236965
2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde
CID 88969071
1-[2-[2-[2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]phenyl]-N,N-dimethylmethanamine
CID 89214490
1-[2-[3-(3,5-dimethoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]ethanone
CID 71191558
methyl 2-(2-acetylphenyl)-2-methylpropanoate
CID 10608941
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanone?
The IUPAC name of 1-[2-[2-(2-methoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanone (CID 71040189) is 1-[2-[2-(2-methoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(2-methoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-(2-methoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanone is CCC(C)(Pc1ccccc1C(C)=O)c1ccccc1OC.
What is the InChIKey of 1-[2-[2-(2-methoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanone?
The InChIKey is BUNSFXTXUXZORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O2P/c1-5-19(3,16-11-7-8-12-17(16)21-4)22-18-13-9-6-10-15(18)14(2)20/h6-13,22H,5H2,1-4H3.
What are the key properties of 1-[2-[2-(2-methoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanone?
1-[2-[2-(2-methoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanone has a molecular weight of 314.37 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanone is sourced from PubChem (CID 71040189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).