1-[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one

C28H33NO2P2 — CID 159182083

IUPAC1-[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(-c2ccc(-c3ccc(CP)c(CP)c3)cc2)cc1)N1CCOCC1
InChIInChI=1S/C28H33NO2P2/c1-28(2,29-13-15-31-16-14-29)27(30)23-9-7-21(8-10-23)20-3-5-22(6-4-20)24-11-12-25(18-32)26(17-24)19-33/h3-12,17H,13-16,18-19,32-33H2,1-2H3
InChIKeyGKVWYDXKYYYZRJ-UHFFFAOYSA-N
MW477.53 g/mol
LogP6.06
Rot. Bonds7

About 1-[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one

1-[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one (PubChem CID 159182083) has the molecular formula C28H33NO2P2 and a molecular weight of 477.53 g/mol. Its IUPAC name is 1-[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
PubChem CID159182083
Molecular FormulaC28H33NO2P2
Molecular Weight477.53 g/mol
Exact Mass477.20
IUPAC Name1-[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(-c2ccc(-c3ccc(CP)c(CP)c3)cc2)cc1)N1CCOCC1
InChIInChI=1S/C28H33NO2P2/c1-28(2,29-13-15-31-16-14-29)27(30)23-9-7-21(8-10-23)20-3-5-22(6-4-20)24-11-12-25(18-32)26(17-24)19-33/h3-12,17H,13-16,18-19,32-33H2,1-2H3
InChIKeyGKVWYDXKYYYZRJ-UHFFFAOYSA-N
XLogP6.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.53
LogP ≤ 56.06
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

2-methyl-1-[8-(2-methyl-2-morpholin-4-ylpropanoyl)thianthren-2-yl]-2-morpholin-4-ylpropan-1-one
CID 23325710
1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 139636623
1-[4-[4-[2-(4-butylphenyl)ethynyl]phenyl]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 22929010
1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 147279246
1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866996
2-methyl-2-morpholin-4-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
CID 19879459
2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one
CID 19879538
S-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl] methanethioate
CID 87506630
lithium;1-(4-ethylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one;hydroxide
CID 165164955
2-methyl-1-(10-methylphenothiazin-2-yl)-2-morpholin-4-ylpropan-1-one
CID 19879415
1-(4-butylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19879444
1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79044890

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one (CID 159182083) is 1-[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one is CC(C)(C(=O)c1ccc(-c2ccc(-c3ccc(CP)c(CP)c3)cc2)cc1)N1CCOCC1.
What is the InChIKey of 1-[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The InChIKey is GKVWYDXKYYYZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO2P2/c1-28(2,29-13-15-31-16-14-29)27(30)23-9-7-21(8-10-23)20-3-5-22(6-4-20)24-11-12-25(18-32)26(17-24)19-33/h3-12,17H,13-16,18-19,32-33H2,1-2H3.
What are the key properties of 1-[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
1-[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one has a molecular weight of 477.53 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 159182083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).