5-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)-2,2,4-trimethyl-3H-chromen-4-yl]phenol

C26H36O6 — CID 139612928

IUPAC5-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)-2,2,4-trimethyl-3H-chromen-4-yl]phenol
SMILESCCOC(C)Oc1ccc(C2(C)CC(C)(C)Oc3cc(OC(C)OCC)ccc32)c(O)c1
InChIInChI=1S/C26H36O6/c1-8-28-17(3)30-19-10-12-21(23(27)14-19)26(7)16-25(5,6)32-24-15-20(11-13-22(24)26)31-18(4)29-9-2/h10-15,17-18,27H,8-9,16H2,1-7H3
InChIKeyGKVRPJCELKMDCA-UHFFFAOYSA-N
MW444.57 g/mol
LogP5.78
Rot. Bonds9

About 5-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)-2,2,4-trimethyl-3H-chromen-4-yl]phenol

5-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)-2,2,4-trimethyl-3H-chromen-4-yl]phenol (PubChem CID 139612928) has the molecular formula C26H36O6 and a molecular weight of 444.57 g/mol. Its IUPAC name is 5-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)-2,2,4-trimethyl-3H-chromen-4-yl]phenol.

Molecular Properties

Compound Name5-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)-2,2,4-trimethyl-3H-chromen-4-yl]phenol
PubChem CID139612928
Molecular FormulaC26H36O6
Molecular Weight444.57 g/mol
Exact Mass444.25
IUPAC Name5-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)-2,2,4-trimethyl-3H-chromen-4-yl]phenol
SMILESCCOC(C)Oc1ccc(C2(C)CC(C)(C)Oc3cc(OC(C)OCC)ccc32)c(O)c1
InChIInChI=1S/C26H36O6/c1-8-28-17(3)30-19-10-12-21(23(27)14-19)26(7)16-25(5,6)32-24-15-20(11-13-22(24)26)31-18(4)29-9-2/h10-15,17-18,27H,8-9,16H2,1-7H3
InChIKeyGKVRPJCELKMDCA-UHFFFAOYSA-N
XLogP5.78
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.57
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)-2,2,4-trimethyl-3H-chromen-4-yl]phenol?
The IUPAC name of 5-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)-2,2,4-trimethyl-3H-chromen-4-yl]phenol (CID 139612928) is 5-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)-2,2,4-trimethyl-3H-chromen-4-yl]phenol.
What is the SMILES notation for 5-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)-2,2,4-trimethyl-3H-chromen-4-yl]phenol?
The canonical SMILES for 5-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)-2,2,4-trimethyl-3H-chromen-4-yl]phenol is CCOC(C)Oc1ccc(C2(C)CC(C)(C)Oc3cc(OC(C)OCC)ccc32)c(O)c1.
What is the InChIKey of 5-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)-2,2,4-trimethyl-3H-chromen-4-yl]phenol?
The InChIKey is GKVRPJCELKMDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O6/c1-8-28-17(3)30-19-10-12-21(23(27)14-19)26(7)16-25(5,6)32-24-15-20(11-13-22(24)26)31-18(4)29-9-2/h10-15,17-18,27H,8-9,16H2,1-7H3.
What are the key properties of 5-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)-2,2,4-trimethyl-3H-chromen-4-yl]phenol?
5-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)-2,2,4-trimethyl-3H-chromen-4-yl]phenol has a molecular weight of 444.57 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)-2,2,4-trimethyl-3H-chromen-4-yl]phenol is sourced from PubChem (CID 139612928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).