1-[5-[2-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]oxolan-2-yl]pyrimidine-2,4-dione

C32H34N2O6 — CID 178060841

IUPAC1-[5-[2-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]oxolan-2-yl]pyrimidine-2,4-dione
SMILESCOc1ccc(C(OC(C)CC2CCC(n3ccc(=O)[nH]c3=O)O2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H34N2O6/c1-22(21-28-17-18-30(39-28)34-20-19-29(35)33-31(34)36)40-32(23-7-5-4-6-8-23,24-9-13-26(37-2)14-10-24)25-11-15-27(38-3)16-12-25/h4-16,19-20,22,28,30H,17-18,21H2,1-3H3,(H,33,35,36)
InChIKeyMBEQPTHCEYWOPB-UHFFFAOYSA-N
MW542.63 g/mol
LogP5.02
Rot. Bonds10

About 1-[5-[2-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]oxolan-2-yl]pyrimidine-2,4-dione

1-[5-[2-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 178060841) has the molecular formula C32H34N2O6 and a molecular weight of 542.63 g/mol. Its IUPAC name is 1-[5-[2-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[5-[2-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID178060841
Molecular FormulaC32H34N2O6
Molecular Weight542.63 g/mol
Exact Mass542.24
IUPAC Name1-[5-[2-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]oxolan-2-yl]pyrimidine-2,4-dione
SMILESCOc1ccc(C(OC(C)CC2CCC(n3ccc(=O)[nH]c3=O)O2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H34N2O6/c1-22(21-28-17-18-30(39-28)34-20-19-29(35)33-31(34)36)40-32(23-7-5-4-6-8-23,24-9-13-26(37-2)14-10-24)25-11-15-27(38-3)16-12-25/h4-16,19-20,22,28,30H,17-18,21H2,1-3H3,(H,33,35,36)
InChIKeyMBEQPTHCEYWOPB-UHFFFAOYSA-N
XLogP5.02
TPSA91.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.63
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 169068441
1-[(2R,3S,5S)-5-[(1R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]pentyl]-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 174105297
1-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-cyclohexyl-6-(hydroxymethyl)morpholin-2-yl]pyrimidine-2,4-dione
CID 156647136
1-[(2R,3R,4S)-5-[(1R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione
CID 59419888
1-[(2R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]pyrimidine-2,4-dione;[di(propan-2-yl)amino]phosphonous acid;(4S)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dithiane
CID 144640880
2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetaldehyde;methoxymethane
CID 178082508
1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 11039002
1-[(2R,3S,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 68760496
1-[(2R,6R)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)-1,4-dioxan-2-yl]pyrimidine-2,4-dione
CID 155680968
1-[(2R,3S,4R,5S)-3,4-dihydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 51689230
1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 124898084
methanol;1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 145071309

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[5-[2-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]oxolan-2-yl]pyrimidine-2,4-dione (CID 178060841) is 1-[5-[2-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[5-[2-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[5-[2-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]oxolan-2-yl]pyrimidine-2,4-dione is COc1ccc(C(OC(C)CC2CCC(n3ccc(=O)[nH]c3=O)O2)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[5-[2-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is MBEQPTHCEYWOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O6/c1-22(21-28-17-18-30(39-28)34-20-19-29(35)33-31(34)36)40-32(23-7-5-4-6-8-23,24-9-13-26(37-2)14-10-24)25-11-15-27(38-3)16-12-25/h4-16,19-20,22,28,30H,17-18,21H2,1-3H3,(H,33,35,36).
What are the key properties of 1-[5-[2-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]oxolan-2-yl]pyrimidine-2,4-dione?
1-[5-[2-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 542.63 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 178060841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).