3-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-1H-pyrimidine-2,4-dione

C28H28N2O6 — CID 170329075

IUPAC3-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(C(OCC(O)Cn2c(=O)cc[nH]c2=O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H28N2O6/c1-34-24-12-8-21(9-13-24)28(20-6-4-3-5-7-20,22-10-14-25(35-2)15-11-22)36-19-23(31)18-30-26(32)16-17-29-27(30)33/h3-17,23,31H,18-19H2,1-2H3,(H,29,33)
InChIKeyUJJJTOCFDDPHKJ-UHFFFAOYSA-N
MW488.54 g/mol
LogP2.92
Rot. Bonds10

About 3-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-1H-pyrimidine-2,4-dione

3-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-1H-pyrimidine-2,4-dione (PubChem CID 170329075) has the molecular formula C28H28N2O6 and a molecular weight of 488.54 g/mol. Its IUPAC name is 3-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-1H-pyrimidine-2,4-dione
PubChem CID170329075
Molecular FormulaC28H28N2O6
Molecular Weight488.54 g/mol
Exact Mass488.19
IUPAC Name3-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(C(OCC(O)Cn2c(=O)cc[nH]c2=O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H28N2O6/c1-34-24-12-8-21(9-13-24)28(20-6-4-3-5-7-20,22-10-14-25(35-2)15-11-22)36-19-23(31)18-30-26(32)16-17-29-27(30)33/h3-17,23,31H,18-19H2,1-2H3,(H,29,33)
InChIKeyUJJJTOCFDDPHKJ-UHFFFAOYSA-N
XLogP2.92
TPSA102.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-5-bromopyrimidine-2,4-dione
CID 54753566
(2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol
CID 67864554
1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol
CID 135215406
2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol
CID 11112996
3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
CID 91429970
3-amino-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 135215394
1-[(2S)-2-hydroxy-3-trityloxypropyl]-5-methylpyrimidine-2,4-dione
CID 124896644
(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol
CID 142497064
(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol
CID 14260773
(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol
CID 10325161
[(2R)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl] 4-methylbenzenesulfonate
CID 137498681
1-methoxy-4-[(4-methoxyphenyl)-[(2S)-2-methylbutoxy]-phenylmethyl]benzene
CID 166649952

Frequently Asked Questions

What is the IUPAC name of 3-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-1H-pyrimidine-2,4-dione (CID 170329075) is 3-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-1H-pyrimidine-2,4-dione is COc1ccc(C(OCC(O)Cn2c(=O)cc[nH]c2=O)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-1H-pyrimidine-2,4-dione?
The InChIKey is UJJJTOCFDDPHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O6/c1-34-24-12-8-21(9-13-24)28(20-6-4-3-5-7-20,22-10-14-25(35-2)15-11-22)36-19-23(31)18-30-26(32)16-17-29-27(30)33/h3-17,23,31H,18-19H2,1-2H3,(H,29,33).
What are the key properties of 3-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-1H-pyrimidine-2,4-dione?
3-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-1H-pyrimidine-2,4-dione has a molecular weight of 488.54 g/mol, XLogP of 2.92, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170329075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).