2-ethoxy-1,3,4-tris(4-ethoxyphenyl)benzene

C32H34O4 — CID 173362856

IUPAC2-ethoxy-1,3,4-tris(4-ethoxyphenyl)benzene
SMILESCCOc1ccc(-c2ccc(-c3ccc(OCC)cc3)c(-c3ccc(OCC)cc3)c2OCC)cc1
InChIInChI=1S/C32H34O4/c1-5-33-26-15-9-23(10-16-26)29-21-22-30(24-11-17-27(18-12-24)34-6-2)32(36-8-4)31(29)25-13-19-28(20-14-25)35-7-3/h9-22H,5-8H2,1-4H3
InChIKeyIIXOEMWKXFRNIN-UHFFFAOYSA-N
MW482.62 g/mol
LogP8.28
Rot. Bonds11

About 2-ethoxy-1,3,4-tris(4-ethoxyphenyl)benzene

2-ethoxy-1,3,4-tris(4-ethoxyphenyl)benzene (PubChem CID 173362856) has the molecular formula C32H34O4 and a molecular weight of 482.62 g/mol. Its IUPAC name is 2-ethoxy-1,3,4-tris(4-ethoxyphenyl)benzene.

Molecular Properties

Compound Name2-ethoxy-1,3,4-tris(4-ethoxyphenyl)benzene
PubChem CID173362856
Molecular FormulaC32H34O4
Molecular Weight482.62 g/mol
Exact Mass482.25
IUPAC Name2-ethoxy-1,3,4-tris(4-ethoxyphenyl)benzene
SMILESCCOc1ccc(-c2ccc(-c3ccc(OCC)cc3)c(-c3ccc(OCC)cc3)c2OCC)cc1
InChIInChI=1S/C32H34O4/c1-5-33-26-15-9-23(10-16-26)29-21-22-30(24-11-17-27(18-12-24)34-6-2)32(36-8-4)31(29)25-13-19-28(20-14-25)35-7-3/h9-22H,5-8H2,1-4H3
InChIKeyIIXOEMWKXFRNIN-UHFFFAOYSA-N
XLogP8.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.62
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-1,3,4-tris(4-ethoxyphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-bis(4-ethoxyphenyl)-3,5-difluorobenzene
CID 102107655
1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene
CID 59789051
9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20822178
3-ethoxy-1-(4-ethoxyphenyl)-2,4-bis(prop-2-enyl)benzene
CID 173362831
4-(4-ethoxyphenyl)-1H-indole
CID 141124806
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 19107911
9-(4-ethoxyphenyl)acridine
CID 18966036
3-ethoxy-1,2-bis(4-fluorophenyl)-4-prop-2-enylbenzene
CID 173362824
1-ethoxy-4-(fluoromethoxy)benzene
CID 21036002
1,4-diethoxy-2-(4-ethoxyphenyl)benzene;molecular nitrogen
CID 70564094
2,7-diethoxy-1,3,6,8-tetrakis(4-methoxyphenyl)pyrene
CID 163210798
3-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1-propan-2-yloxy-4-(4-propoxyphenyl)benzene
CID 141328728

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3,4-tris(4-ethoxyphenyl)benzene?
The IUPAC name of 2-ethoxy-1,3,4-tris(4-ethoxyphenyl)benzene (CID 173362856) is 2-ethoxy-1,3,4-tris(4-ethoxyphenyl)benzene.
What is the SMILES notation for 2-ethoxy-1,3,4-tris(4-ethoxyphenyl)benzene?
The canonical SMILES for 2-ethoxy-1,3,4-tris(4-ethoxyphenyl)benzene is CCOc1ccc(-c2ccc(-c3ccc(OCC)cc3)c(-c3ccc(OCC)cc3)c2OCC)cc1.
What is the InChIKey of 2-ethoxy-1,3,4-tris(4-ethoxyphenyl)benzene?
The InChIKey is IIXOEMWKXFRNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O4/c1-5-33-26-15-9-23(10-16-26)29-21-22-30(24-11-17-27(18-12-24)34-6-2)32(36-8-4)31(29)25-13-19-28(20-14-25)35-7-3/h9-22H,5-8H2,1-4H3.
What are the key properties of 2-ethoxy-1,3,4-tris(4-ethoxyphenyl)benzene?
2-ethoxy-1,3,4-tris(4-ethoxyphenyl)benzene has a molecular weight of 482.62 g/mol, XLogP of 8.28, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3,4-tris(4-ethoxyphenyl)benzene is sourced from PubChem (CID 173362856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).