1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;bis(tert-butyl morpholine-4-carboxylate)

C44H64N2O8 — CID 170603344

IUPAC1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;bis(tert-butyl morpholine-4-carboxylate)
SMILESCC(C)(C)OC(=O)N1CCOCC1.CC(C)(C)OC(=O)N1CCOCC1.COc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C26H30O2.2C9H17NO3/c1-25(2,21-11-15-23(27-5)16-12-21)19-7-9-20(10-8-19)26(3,4)22-13-17-24(28-6)18-14-22;2*1-9(2,3)13-8(11)10-4-6-12-7-5-10/h7-18H,1-6H3;2*4-7H2,1-3H3
InChIKeyPTPCEBQEDWGKFB-UHFFFAOYSA-N
MW749.00 g/mol
LogP8.86
Rot. Bonds6

About 1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;bis(tert-butyl morpholine-4-carboxylate)

1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;bis(tert-butyl morpholine-4-carboxylate) (PubChem CID 170603344) has the molecular formula C44H64N2O8 and a molecular weight of 749.00 g/mol. Its IUPAC name is 1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;bis(tert-butyl morpholine-4-carboxylate).

Molecular Properties

Compound Name1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;bis(tert-butyl morpholine-4-carboxylate)
PubChem CID170603344
Molecular FormulaC44H64N2O8
Molecular Weight749.00 g/mol
Exact Mass748.47
IUPAC Name1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;bis(tert-butyl morpholine-4-carboxylate)
SMILESCC(C)(C)OC(=O)N1CCOCC1.CC(C)(C)OC(=O)N1CCOCC1.COc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C26H30O2.2C9H17NO3/c1-25(2,21-11-15-23(27-5)16-12-21)19-7-9-20(10-8-19)26(3,4)22-13-17-24(28-6)18-14-22;2*1-9(2,3)13-8(11)10-4-6-12-7-5-10/h7-18H,1-6H3;2*4-7H2,1-3H3
InChIKeyPTPCEBQEDWGKFB-UHFFFAOYSA-N
XLogP8.86
TPSA96.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.00
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl 4-[2-(4-methoxyphenoxy)propanoyl]piperazine-1-carboxylate
CID 51331914
tert-butyl 4-[bis(4-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 171985225
tert-butyl morpholine-4-carboxylate;propan-1-ol
CID 145379856
tert-butyl 4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate
CID 85437217
tert-butyl 2-(4-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 163836171
tert-butyl 4-[3-[(4-methoxybenzoyl)amino]propyl]piperazine-1-carboxylate
CID 47038372
tert-butyl 7-(4-methoxyphenyl)-1,1-dioxo-1,4-thiazepane-4-carboxylate
CID 22276436
tert-butyl 4-[(Z)-2-(4-methoxyphenyl)ethenyl]piperidine-1-carboxylate
CID 134385626
1-bromo-3-methylbenzene;tert-butyl morpholine-4-carboxylate
CID 171499341
tert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate
CID 113077843
tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate
CID 24824159
tert-butyl 4-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylpiperidine-1-carboxylate
CID 154713293

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;bis(tert-butyl morpholine-4-carboxylate)?
The IUPAC name of 1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;bis(tert-butyl morpholine-4-carboxylate) (CID 170603344) is 1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;bis(tert-butyl morpholine-4-carboxylate).
What is the SMILES notation for 1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;bis(tert-butyl morpholine-4-carboxylate)?
The canonical SMILES for 1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;bis(tert-butyl morpholine-4-carboxylate) is CC(C)(C)OC(=O)N1CCOCC1.CC(C)(C)OC(=O)N1CCOCC1.COc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of 1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;bis(tert-butyl morpholine-4-carboxylate)?
The InChIKey is PTPCEBQEDWGKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O2.2C9H17NO3/c1-25(2,21-11-15-23(27-5)16-12-21)19-7-9-20(10-8-19)26(3,4)22-13-17-24(28-6)18-14-22;2*1-9(2,3)13-8(11)10-4-6-12-7-5-10/h7-18H,1-6H3;2*4-7H2,1-3H3.
What are the key properties of 1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;bis(tert-butyl morpholine-4-carboxylate)?
1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;bis(tert-butyl morpholine-4-carboxylate) has a molecular weight of 749.00 g/mol, XLogP of 8.86, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;bis(tert-butyl morpholine-4-carboxylate) is sourced from PubChem (CID 170603344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).