1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene

C32H42O6 — CID 22726285

IUPAC1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
SMILESCCOC(C)Oc1ccc(C(C)(c2ccc(OC(C)OCC)cc2)c2ccc(OC(C)OCC)cc2)cc1
InChIInChI=1S/C32H42O6/c1-8-33-23(4)36-29-17-11-26(12-18-29)32(7,27-13-19-30(20-14-27)37-24(5)34-9-2)28-15-21-31(22-16-28)38-25(6)35-10-3/h11-25H,8-10H2,1-7H3
InChIKeyQTHBXNOIPNZQCL-UHFFFAOYSA-N
MW522.68 g/mol
LogP7.32
Rot. Bonds15

About 1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene

1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene (PubChem CID 22726285) has the molecular formula C32H42O6 and a molecular weight of 522.68 g/mol. Its IUPAC name is 1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene.

Molecular Properties

Compound Name1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
PubChem CID22726285
Molecular FormulaC32H42O6
Molecular Weight522.68 g/mol
Exact Mass522.30
IUPAC Name1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
SMILESCCOC(C)Oc1ccc(C(C)(c2ccc(OC(C)OCC)cc2)c2ccc(OC(C)OCC)cc2)cc1
InChIInChI=1S/C32H42O6/c1-8-33-23(4)36-29-17-11-26(12-18-29)32(7,27-13-19-30(20-14-27)37-24(5)34-9-2)28-15-21-31(22-16-28)38-25(6)35-10-3/h11-25H,8-10H2,1-7H3
InChIKeyQTHBXNOIPNZQCL-UHFFFAOYSA-N
XLogP7.32
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.68
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
1,3-bis[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]benzene
CID 90815558
1,4-bis[bis[4-(1-ethoxyethoxy)phenyl]methyl]benzene
CID 90276539
1-[1-cyclohexyl-1-[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 139654696
4-(1-ethoxyethoxy)aniline
CID 139920192
1-(1-ethoxyethoxy)-4-[4-(1-ethoxyethoxy)phenyl]tellanylbenzene
CID 140901390
2-[[4-[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 23546553
1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene
CID 123183893
[4-[4-(1-ethoxyethoxy)phenyl]-2-methylbutan-2-yl]-oxosilane
CID 123166160
bis[4-(1-ethoxyethoxy)phenyl]-phenylsulfanium
CID 18945784
1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-butan-2-yl-4-(ethoxymethoxy)benzene;1-(1-ethoxyethoxy)-4-(2-methylbutan-2-yl)benzene
CID 162232854
4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol
CID 23546598

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene?
The IUPAC name of 1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene (CID 22726285) is 1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene.
What is the SMILES notation for 1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene?
The canonical SMILES for 1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene is CCOC(C)Oc1ccc(C(C)(c2ccc(OC(C)OCC)cc2)c2ccc(OC(C)OCC)cc2)cc1.
What is the InChIKey of 1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene?
The InChIKey is QTHBXNOIPNZQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42O6/c1-8-33-23(4)36-29-17-11-26(12-18-29)32(7,27-13-19-30(20-14-27)37-24(5)34-9-2)28-15-21-31(22-16-28)38-25(6)35-10-3/h11-25H,8-10H2,1-7H3.
What are the key properties of 1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene?
1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene has a molecular weight of 522.68 g/mol, XLogP of 7.32, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene is sourced from PubChem (CID 22726285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).