2,3,6,7-tetrapropoxyanthracene

C26H34O4 — CID 102343273

IUPAC2,3,6,7-tetrapropoxyanthracene
SMILESCCCOc1cc2cc3cc(OCCC)c(OCCC)cc3cc2cc1OCCC
InChIInChI=1S/C26H34O4/c1-5-9-27-23-15-19-13-21-17-25(29-11-7-3)26(30-12-8-4)18-22(21)14-20(19)16-24(23)28-10-6-2/h13-18H,5-12H2,1-4H3
InChIKeyXRJRSBXPRFPEFN-UHFFFAOYSA-N
MW410.55 g/mol
LogP7.15
Rot. Bonds12

About 2,3,6,7-tetrapropoxyanthracene

2,3,6,7-tetrapropoxyanthracene (PubChem CID 102343273) has the molecular formula C26H34O4 and a molecular weight of 410.55 g/mol. Its IUPAC name is 2,3,6,7-tetrapropoxyanthracene.

Molecular Properties

Compound Name2,3,6,7-tetrapropoxyanthracene
PubChem CID102343273
Molecular FormulaC26H34O4
Molecular Weight410.55 g/mol
Exact Mass410.25
IUPAC Name2,3,6,7-tetrapropoxyanthracene
SMILESCCCOc1cc2cc3cc(OCCC)c(OCCC)cc3cc2cc1OCCC
InChIInChI=1S/C26H34O4/c1-5-9-27-23-15-19-13-21-17-25(29-11-7-3)26(30-12-8-4)18-22(21)14-20(19)16-24(23)28-10-6-2/h13-18H,5-12H2,1-4H3
InChIKeyXRJRSBXPRFPEFN-UHFFFAOYSA-N
XLogP7.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.55
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,3,6,7,10,11-hexapropoxytriphenylene
CID 15531608
2,3,6,7,11,12-hexahexoxybenzo[b]triphenylene
CID 132991294
2,6,10-tripentoxy-3,7,11-tripropoxytriphenylene
CID 101030004
1,2,3,4,5-pentapropoxybenzene
CID 91365553
1,2,3,4-tetramethyl-5-propoxybenzene
CID 143028127
3,4-dipropoxybenzenethiol
CID 28939740
2-[2-(cyanomethyl)-4,5-dipropoxyphenyl]acetonitrile
CID 102359045
1,2,4,5-tetrakis-decoxybenzene
CID 10556791
2,3,6,7-tetrakis-decoxy-11,12-dimethoxybenzo[b]triphenylene
CID 122383547
5,6-dihexoxy-2-benzofuran
CID 10591659
[3,6,7-tris(hydroxymethoxy)anthracen-2-yl]oxymethanol
CID 140957767
4-fluoro-1-methoxy-2-propoxybenzene
CID 126738516

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrapropoxyanthracene?
The IUPAC name of 2,3,6,7-tetrapropoxyanthracene (CID 102343273) is 2,3,6,7-tetrapropoxyanthracene.
What is the SMILES notation for 2,3,6,7-tetrapropoxyanthracene?
The canonical SMILES for 2,3,6,7-tetrapropoxyanthracene is CCCOc1cc2cc3cc(OCCC)c(OCCC)cc3cc2cc1OCCC.
What is the InChIKey of 2,3,6,7-tetrapropoxyanthracene?
The InChIKey is XRJRSBXPRFPEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O4/c1-5-9-27-23-15-19-13-21-17-25(29-11-7-3)26(30-12-8-4)18-22(21)14-20(19)16-24(23)28-10-6-2/h13-18H,5-12H2,1-4H3.
What are the key properties of 2,3,6,7-tetrapropoxyanthracene?
2,3,6,7-tetrapropoxyanthracene has a molecular weight of 410.55 g/mol, XLogP of 7.15, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrapropoxyanthracene is sourced from PubChem (CID 102343273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).