1,2,3,4-tetrakis(ethoxymethyl)-5-phenylbenzene

C24H34O4 — CID 139792807

IUPAC1,2,3,4-tetrakis(ethoxymethyl)-5-phenylbenzene
SMILESCCOCc1cc(-c2ccccc2)c(COCC)c(COCC)c1COCC
InChIInChI=1S/C24H34O4/c1-5-25-15-20-14-21(19-12-10-9-11-13-19)23(17-27-7-3)24(18-28-8-4)22(20)16-26-6-2/h9-14H,5-8,15-18H2,1-4H3
InChIKeyYANCFKLFFDKLSI-UHFFFAOYSA-N
MW386.53 g/mol
LogP5.50
Rot. Bonds13

About 1,2,3,4-tetrakis(ethoxymethyl)-5-phenylbenzene

1,2,3,4-tetrakis(ethoxymethyl)-5-phenylbenzene (PubChem CID 139792807) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is 1,2,3,4-tetrakis(ethoxymethyl)-5-phenylbenzene.

Molecular Properties

Compound Name1,2,3,4-tetrakis(ethoxymethyl)-5-phenylbenzene
PubChem CID139792807
Molecular FormulaC24H34O4
Molecular Weight386.53 g/mol
Exact Mass386.25
IUPAC Name1,2,3,4-tetrakis(ethoxymethyl)-5-phenylbenzene
SMILESCCOCc1cc(-c2ccccc2)c(COCC)c(COCC)c1COCC
InChIInChI=1S/C24H34O4/c1-5-25-15-20-14-21(19-12-10-9-11-13-19)23(17-27-7-3)24(18-28-8-4)22(20)16-26-6-2/h9-14H,5-8,15-18H2,1-4H3
InChIKeyYANCFKLFFDKLSI-UHFFFAOYSA-N
XLogP5.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.53
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis(ethoxymethyl)-3-phenylbenzene
CID 67372084
4-[2,5-bis(ethoxymethyl)-4-pyridin-4-ylphenyl]pyridine
CID 132938539
1,1'-biphenyl;ethanol;ethoxyethane
CID 70401504
ethoxyethane;1,2,3-triethyl-4-phenylbenzene
CID 66697424
1-tert-butyl-3-[2-(ethoxymethyl)phenyl]benzene
CID 164919122
(213C)ethoxymethylbenzene
CID 87947851
1,1'-biphenyl;ethene;ethoxyethane
CID 155168221
3-(ethoxymethoxy)-4-phenylthiophene
CID 172627115
2,3,6-triethyl-5-phenylphenol
CID 101302393
4-(ethoxymethyl)-3-phenyl-1H-pyridazin-6-one
CID 10513640
ethane;1-(ethoxymethyl)-2-methylbenzene
CID 143583110
2-(ethoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene
CID 173195108

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrakis(ethoxymethyl)-5-phenylbenzene?
The IUPAC name of 1,2,3,4-tetrakis(ethoxymethyl)-5-phenylbenzene (CID 139792807) is 1,2,3,4-tetrakis(ethoxymethyl)-5-phenylbenzene.
What is the SMILES notation for 1,2,3,4-tetrakis(ethoxymethyl)-5-phenylbenzene?
The canonical SMILES for 1,2,3,4-tetrakis(ethoxymethyl)-5-phenylbenzene is CCOCc1cc(-c2ccccc2)c(COCC)c(COCC)c1COCC.
What is the InChIKey of 1,2,3,4-tetrakis(ethoxymethyl)-5-phenylbenzene?
The InChIKey is YANCFKLFFDKLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O4/c1-5-25-15-20-14-21(19-12-10-9-11-13-19)23(17-27-7-3)24(18-28-8-4)22(20)16-26-6-2/h9-14H,5-8,15-18H2,1-4H3.
What are the key properties of 1,2,3,4-tetrakis(ethoxymethyl)-5-phenylbenzene?
1,2,3,4-tetrakis(ethoxymethyl)-5-phenylbenzene has a molecular weight of 386.53 g/mol, XLogP of 5.50, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrakis(ethoxymethyl)-5-phenylbenzene is sourced from PubChem (CID 139792807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).