1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene

C27H32O2 — CID 86054724

IUPAC1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene
SMILESCCCCC(CC)COc1cc(-c2ccccc2)c(OC)cc1-c1ccccc1
InChIInChI=1S/C27H32O2/c1-4-6-13-21(5-2)20-29-27-19-24(22-14-9-7-10-15-22)26(28-3)18-25(27)23-16-11-8-12-17-23/h7-12,14-19,21H,4-6,13,20H2,1-3H3
InChIKeyZSQXKAPOSCHATH-UHFFFAOYSA-N
MW388.55 g/mol
LogP7.62
Rot. Bonds10

About 1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene

1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene (PubChem CID 86054724) has the molecular formula C27H32O2 and a molecular weight of 388.55 g/mol. Its IUPAC name is 1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene.

Molecular Properties

Compound Name1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene
PubChem CID86054724
Molecular FormulaC27H32O2
Molecular Weight388.55 g/mol
Exact Mass388.24
IUPAC Name1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene
SMILESCCCCC(CC)COc1cc(-c2ccccc2)c(OC)cc1-c1ccccc1
InChIInChI=1S/C27H32O2/c1-4-6-13-21(5-2)20-29-27-19-24(22-14-9-7-10-15-22)26(28-3)18-25(27)23-16-11-8-12-17-23/h7-12,14-19,21H,4-6,13,20H2,1-3H3
InChIKeyZSQXKAPOSCHATH-UHFFFAOYSA-N
XLogP7.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-(2-ethylhexoxy)-2-phenylbenzene
CID 172726737
1-(2-ethylhexoxy)-2-iodobenzene
CID 63531465
1-[(2R)-2-ethylhexoxy]-4-ethynyl-2-methoxybenzene
CID 175893190
1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone
CID 63531574
9,10-bis[4-[4-(2,2-diphenylethenyl)phenyl]-2-(2-ethylhexoxy)-5-methylphenyl]anthracene
CID 46178681
4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene
CID 169014033
1,2,3,4,5-pentakis(2-ethylhexoxy)benzene
CID 90923356
1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
CID 71351015
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
2-ethylhexoxybenzene;methoxyboronic acid
CID 23293414
(1R)-1-[2-(2-ethylhexoxy)phenyl]propan-1-amine
CID 78944050
CID 151703747
CID 151703747

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene?
The IUPAC name of 1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene (CID 86054724) is 1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene.
What is the SMILES notation for 1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene?
The canonical SMILES for 1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene is CCCCC(CC)COc1cc(-c2ccccc2)c(OC)cc1-c1ccccc1.
What is the InChIKey of 1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene?
The InChIKey is ZSQXKAPOSCHATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O2/c1-4-6-13-21(5-2)20-29-27-19-24(22-14-9-7-10-15-22)26(28-3)18-25(27)23-16-11-8-12-17-23/h7-12,14-19,21H,4-6,13,20H2,1-3H3.
What are the key properties of 1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene?
1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene has a molecular weight of 388.55 g/mol, XLogP of 7.62, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene is sourced from PubChem (CID 86054724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).