8-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one

C26H30N2O4 — CID 66835005

IUPAC8-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
SMILESCC1(C)c2cc(OCCN3CCN(CCO)CC3)ccc2C(=O)c2c1oc1ccccc21
InChIInChI=1S/C26H30N2O4/c1-26(2)21-17-18(31-16-14-28-11-9-27(10-12-28)13-15-29)7-8-19(21)24(30)23-20-5-3-4-6-22(20)32-25(23)26/h3-8,17,29H,9-16H2,1-2H3
InChIKeyXDINLKMPSVCBBQ-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.29
Rot. Bonds6

About 8-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one

8-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one (PubChem CID 66835005) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 8-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one.

Molecular Properties

Compound Name8-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
PubChem CID66835005
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name8-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
SMILESCC1(C)c2cc(OCCN3CCN(CCO)CC3)ccc2C(=O)c2c1oc1ccccc21
InChIInChI=1S/C26H30N2O4/c1-26(2)21-17-18(31-16-14-28-11-9-27(10-12-28)13-15-29)7-8-19(21)24(30)23-20-5-3-4-6-22(20)32-25(23)26/h3-8,17,29H,9-16H2,1-2H3
InChIKeyXDINLKMPSVCBBQ-UHFFFAOYSA-N
XLogP3.29
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
The IUPAC name of 8-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one (CID 66835005) is 8-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one.
What is the SMILES notation for 8-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
The canonical SMILES for 8-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one is CC1(C)c2cc(OCCN3CCN(CCO)CC3)ccc2C(=O)c2c1oc1ccccc21.
What is the InChIKey of 8-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
The InChIKey is XDINLKMPSVCBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-26(2)21-17-18(31-16-14-28-11-9-27(10-12-28)13-15-29)7-8-19(21)24(30)23-20-5-3-4-6-22(20)32-25(23)26/h3-8,17,29H,9-16H2,1-2H3.
What are the key properties of 8-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
8-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one has a molecular weight of 434.54 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one is sourced from PubChem (CID 66835005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).