2,2,4,6,7-pentamethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-3H-1-benzofuran-5-ol

C24H32N2O2 — CID 22238256

IUPAC2,2,4,6,7-pentamethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-3H-1-benzofuran-5-ol
SMILESCc1c(C)c2c(c(C)c1O)C(c1ccc(N3CCN(C)CC3)cc1)C(C)(C)O2
InChIInChI=1S/C24H32N2O2/c1-15-16(2)23-20(17(3)22(15)27)21(24(4,5)28-23)18-7-9-19(10-8-18)26-13-11-25(6)12-14-26/h7-10,21,27H,11-14H2,1-6H3
InChIKeyJOAIQTBGQDMREL-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.37
Rot. Bonds2

About 2,2,4,6,7-pentamethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-3H-1-benzofuran-5-ol

2,2,4,6,7-pentamethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-3H-1-benzofuran-5-ol (PubChem CID 22238256) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2,2,4,6,7-pentamethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-3H-1-benzofuran-5-ol.

Molecular Properties

Compound Name2,2,4,6,7-pentamethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-3H-1-benzofuran-5-ol
PubChem CID22238256
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name2,2,4,6,7-pentamethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-3H-1-benzofuran-5-ol
SMILESCc1c(C)c2c(c(C)c1O)C(c1ccc(N3CCN(C)CC3)cc1)C(C)(C)O2
InChIInChI=1S/C24H32N2O2/c1-15-16(2)23-20(17(3)22(15)27)21(24(4,5)28-23)18-7-9-19(10-8-18)26-13-11-25(6)12-14-26/h7-10,21,27H,11-14H2,1-6H3
InChIKeyJOAIQTBGQDMREL-UHFFFAOYSA-N
XLogP4.37
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,7-pentamethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-3H-1-benzofuran-5-ol?
The IUPAC name of 2,2,4,6,7-pentamethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-3H-1-benzofuran-5-ol (CID 22238256) is 2,2,4,6,7-pentamethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-3H-1-benzofuran-5-ol.
What is the SMILES notation for 2,2,4,6,7-pentamethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-3H-1-benzofuran-5-ol?
The canonical SMILES for 2,2,4,6,7-pentamethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-3H-1-benzofuran-5-ol is Cc1c(C)c2c(c(C)c1O)C(c1ccc(N3CCN(C)CC3)cc1)C(C)(C)O2.
What is the InChIKey of 2,2,4,6,7-pentamethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-3H-1-benzofuran-5-ol?
The InChIKey is JOAIQTBGQDMREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-15-16(2)23-20(17(3)22(15)27)21(24(4,5)28-23)18-7-9-19(10-8-18)26-13-11-25(6)12-14-26/h7-10,21,27H,11-14H2,1-6H3.
What are the key properties of 2,2,4,6,7-pentamethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-3H-1-benzofuran-5-ol?
2,2,4,6,7-pentamethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-3H-1-benzofuran-5-ol has a molecular weight of 380.53 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6,7-pentamethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-3H-1-benzofuran-5-ol is sourced from PubChem (CID 22238256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).