1,3-bis[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]benzene

C32H42O4 — CID 90815558

IUPAC1,3-bis[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]benzene
SMILESCCOC(C)Oc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(OC(C)OCC)cc3)c2)cc1
InChIInChI=1S/C32H42O4/c1-9-33-23(3)35-29-18-14-25(15-19-29)31(5,6)27-12-11-13-28(22-27)32(7,8)26-16-20-30(21-17-26)36-24(4)34-10-2/h11-24H,9-10H2,1-8H3
InChIKeyFXIGRJPQAXGFMF-UHFFFAOYSA-N
MW490.68 g/mol
LogP7.86
Rot. Bonds12

About 1,3-bis[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]benzene

1,3-bis[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]benzene (PubChem CID 90815558) has the molecular formula C32H42O4 and a molecular weight of 490.68 g/mol. Its IUPAC name is 1,3-bis[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]benzene.

Molecular Properties

Compound Name1,3-bis[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]benzene
PubChem CID90815558
Molecular FormulaC32H42O4
Molecular Weight490.68 g/mol
Exact Mass490.31
IUPAC Name1,3-bis[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]benzene
SMILESCCOC(C)Oc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(OC(C)OCC)cc3)c2)cc1
InChIInChI=1S/C32H42O4/c1-9-33-23(3)35-29-18-14-25(15-19-29)31(5,6)27-12-11-13-28(22-27)32(7,8)26-16-20-30(21-17-26)36-24(4)34-10-2/h11-24H,9-10H2,1-8H3
InChIKeyFXIGRJPQAXGFMF-UHFFFAOYSA-N
XLogP7.86
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.68
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 22726285
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
2-[[4-[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 23546553
1-[1-cyclohexyl-1-[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 139654696
1,4-bis[bis[4-(1-ethoxyethoxy)phenyl]methyl]benzene
CID 90276539
4-(1-ethoxyethoxy)aniline
CID 139920192
4-[2-[4-[1-[9-[1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]ethoxy]nonoxy]ethoxy]phenyl]propan-2-yl]phenol
CID 59701640
1-(1-ethoxyethoxy)-4-[4-(1-ethoxyethoxy)phenyl]tellanylbenzene
CID 140901390
bis[4-(1-ethoxyethoxy)phenyl]-phenylsulfanium
CID 18945784
3-[3-(1-ethoxyethoxy)phenyl]-2,5-dimethylhexan-2-amine
CID 123713029
1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene
CID 123183893
[4-(2-phenylpropan-2-yl)phenoxy]methanediol
CID 134502712

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]benzene?
The IUPAC name of 1,3-bis[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]benzene (CID 90815558) is 1,3-bis[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]benzene.
What is the SMILES notation for 1,3-bis[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]benzene?
The canonical SMILES for 1,3-bis[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]benzene is CCOC(C)Oc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(OC(C)OCC)cc3)c2)cc1.
What is the InChIKey of 1,3-bis[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]benzene?
The InChIKey is FXIGRJPQAXGFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42O4/c1-9-33-23(3)35-29-18-14-25(15-19-29)31(5,6)27-12-11-13-28(22-27)32(7,8)26-16-20-30(21-17-26)36-24(4)34-10-2/h11-24H,9-10H2,1-8H3.
What are the key properties of 1,3-bis[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]benzene?
1,3-bis[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]benzene has a molecular weight of 490.68 g/mol, XLogP of 7.86, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]benzene is sourced from PubChem (CID 90815558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).