5-ethoxy-1,2,3-tris(1-phenylethyl)benzene

C32H34O — CID 135291226

IUPAC5-ethoxy-1,2,3-tris(1-phenylethyl)benzene
SMILESCCOc1cc(C(C)c2ccccc2)c(C(C)c2ccccc2)c(C(C)c2ccccc2)c1
InChIInChI=1S/C32H34O/c1-5-33-29-21-30(23(2)26-15-9-6-10-16-26)32(25(4)28-19-13-8-14-20-28)31(22-29)24(3)27-17-11-7-12-18-27/h6-25H,5H2,1-4H3
InChIKeyUTIAWFZWLQOJSZ-UHFFFAOYSA-N
MW434.62 g/mol
LogP8.54
Rot. Bonds8

About 5-ethoxy-1,2,3-tris(1-phenylethyl)benzene

5-ethoxy-1,2,3-tris(1-phenylethyl)benzene (PubChem CID 135291226) has the molecular formula C32H34O and a molecular weight of 434.62 g/mol. Its IUPAC name is 5-ethoxy-1,2,3-tris(1-phenylethyl)benzene.

Molecular Properties

Compound Name5-ethoxy-1,2,3-tris(1-phenylethyl)benzene
PubChem CID135291226
Molecular FormulaC32H34O
Molecular Weight434.62 g/mol
Exact Mass434.26
IUPAC Name5-ethoxy-1,2,3-tris(1-phenylethyl)benzene
SMILESCCOc1cc(C(C)c2ccccc2)c(C(C)c2ccccc2)c(C(C)c2ccccc2)c1
InChIInChI=1S/C32H34O/c1-5-33-29-21-30(23(2)26-15-9-6-10-16-26)32(25(4)28-19-13-8-14-20-28)31(22-29)24(3)27-17-11-7-12-18-27/h6-25H,5H2,1-4H3
InChIKeyUTIAWFZWLQOJSZ-UHFFFAOYSA-N
XLogP8.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.62
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-4-(2-methyl-1-phenylpropyl)benzene
CID 58493580
2-benzhydryl-4-ethoxyaniline
CID 174855019
ethoxybenzene chloride
CID 21193593
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428
1-ethyl-2,4-bis(1-phenylethyl)benzene
CID 3019817
1,2,3-tris(1-phenylethyl)-4-[2,3,4-tris(1-phenylethyl)phenoxy]benzene
CID 69457380
ethoxybenzene;molecular iodine
CID 67763605
ethanamine;1-phenylethylbenzene
CID 19985218
2-(3-ethoxyphenoxy)-1-phenylethanamine
CID 62335579
4-ethoxy-2-(1-phenylethylsulfonyl)aniline
CID 81175040
4-(5-ethoxy-2-propan-2-ylphenyl)-3-phenylpentan-1-amine
CID 57105695

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,2,3-tris(1-phenylethyl)benzene?
The IUPAC name of 5-ethoxy-1,2,3-tris(1-phenylethyl)benzene (CID 135291226) is 5-ethoxy-1,2,3-tris(1-phenylethyl)benzene.
What is the SMILES notation for 5-ethoxy-1,2,3-tris(1-phenylethyl)benzene?
The canonical SMILES for 5-ethoxy-1,2,3-tris(1-phenylethyl)benzene is CCOc1cc(C(C)c2ccccc2)c(C(C)c2ccccc2)c(C(C)c2ccccc2)c1.
What is the InChIKey of 5-ethoxy-1,2,3-tris(1-phenylethyl)benzene?
The InChIKey is UTIAWFZWLQOJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O/c1-5-33-29-21-30(23(2)26-15-9-6-10-16-26)32(25(4)28-19-13-8-14-20-28)31(22-29)24(3)27-17-11-7-12-18-27/h6-25H,5H2,1-4H3.
What are the key properties of 5-ethoxy-1,2,3-tris(1-phenylethyl)benzene?
5-ethoxy-1,2,3-tris(1-phenylethyl)benzene has a molecular weight of 434.62 g/mol, XLogP of 8.54, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,2,3-tris(1-phenylethyl)benzene is sourced from PubChem (CID 135291226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).