1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene

C28H26O — CID 69309160

IUPAC1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene
SMILESCC(c1ccccc1)c1ccccc1Oc1ccccc1C(C)c1ccccc1
InChIInChI=1S/C28H26O/c1-21(23-13-5-3-6-14-23)25-17-9-11-19-27(25)29-28-20-12-10-18-26(28)22(2)24-15-7-4-8-16-24/h3-22H,1-2H3
InChIKeyAYHIXWBNNJECJC-UHFFFAOYSA-N
MW378.52 g/mol
LogP7.78
Rot. Bonds6

About 1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene

1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene (PubChem CID 69309160) has the molecular formula C28H26O and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene.

Molecular Properties

Compound Name1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene
PubChem CID69309160
Molecular FormulaC28H26O
Molecular Weight378.52 g/mol
Exact Mass378.20
IUPAC Name1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene
SMILESCC(c1ccccc1)c1ccccc1Oc1ccccc1C(C)c1ccccc1
InChIInChI=1S/C28H26O/c1-21(23-13-5-3-6-14-23)25-17-9-11-19-27(25)29-28-20-12-10-18-26(28)22(2)24-15-7-4-8-16-24/h3-22H,1-2H3
InChIKeyAYHIXWBNNJECJC-UHFFFAOYSA-N
XLogP7.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenoxy-2-[1-(2-phenoxyphenyl)ethyl]benzene
CID 139761762
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CID 69457380
2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393
1-(4-bromobutoxy)-2-(1-phenylethyl)benzene
CID 12660371
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1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428
1-[2-methoxy-6-(1-phenylethyl)phenyl]ethanone
CID 102035801
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811
ethane;methane;1-phenylethylbenzene
CID 143105414
1-(dibromomethyl)-2-[2-(dibromomethyl)phenoxy]benzene
CID 175540729

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene?
The IUPAC name of 1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene (CID 69309160) is 1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene.
What is the SMILES notation for 1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene?
The canonical SMILES for 1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene is CC(c1ccccc1)c1ccccc1Oc1ccccc1C(C)c1ccccc1.
What is the InChIKey of 1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene?
The InChIKey is AYHIXWBNNJECJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O/c1-21(23-13-5-3-6-14-23)25-17-9-11-19-27(25)29-28-20-12-10-18-26(28)22(2)24-15-7-4-8-16-24/h3-22H,1-2H3.
What are the key properties of 1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene?
1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene has a molecular weight of 378.52 g/mol, XLogP of 7.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene is sourced from PubChem (CID 69309160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).