2-[4-(1-hydroxyethyl)piperazin-1-yl]-8-methyl-7-phenylmethoxychromen-4-one

C23H26N2O4 — CID 70052666

IUPAC2-[4-(1-hydroxyethyl)piperazin-1-yl]-8-methyl-7-phenylmethoxychromen-4-one
SMILESCc1c(OCc2ccccc2)ccc2c(=O)cc(N3CCN(C(C)O)CC3)oc12
InChIInChI=1S/C23H26N2O4/c1-16-21(28-15-18-6-4-3-5-7-18)9-8-19-20(27)14-22(29-23(16)19)25-12-10-24(11-13-25)17(2)26/h3-9,14,17,26H,10-13,15H2,1-2H3
InChIKeyJFWSOBFMPVVAPX-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.14
Rot. Bonds5

About 2-[4-(1-hydroxyethyl)piperazin-1-yl]-8-methyl-7-phenylmethoxychromen-4-one

2-[4-(1-hydroxyethyl)piperazin-1-yl]-8-methyl-7-phenylmethoxychromen-4-one (PubChem CID 70052666) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)piperazin-1-yl]-8-methyl-7-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)piperazin-1-yl]-8-methyl-7-phenylmethoxychromen-4-one
PubChem CID70052666
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name2-[4-(1-hydroxyethyl)piperazin-1-yl]-8-methyl-7-phenylmethoxychromen-4-one
SMILESCc1c(OCc2ccccc2)ccc2c(=O)cc(N3CCN(C(C)O)CC3)oc12
InChIInChI=1S/C23H26N2O4/c1-16-21(28-15-18-6-4-3-5-7-18)9-8-19-20(27)14-22(29-23(16)19)25-12-10-24(11-13-25)17(2)26/h3-9,14,17,26H,10-13,15H2,1-2H3
InChIKeyJFWSOBFMPVVAPX-UHFFFAOYSA-N
XLogP3.14
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(1-hydroxyethyl)piperazin-1-yl]-8-methyl-7-phenylmethoxychromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)piperazin-1-yl]-8-methyl-7-phenylmethoxychromen-4-one?
The IUPAC name of 2-[4-(1-hydroxyethyl)piperazin-1-yl]-8-methyl-7-phenylmethoxychromen-4-one (CID 70052666) is 2-[4-(1-hydroxyethyl)piperazin-1-yl]-8-methyl-7-phenylmethoxychromen-4-one.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)piperazin-1-yl]-8-methyl-7-phenylmethoxychromen-4-one?
The canonical SMILES for 2-[4-(1-hydroxyethyl)piperazin-1-yl]-8-methyl-7-phenylmethoxychromen-4-one is Cc1c(OCc2ccccc2)ccc2c(=O)cc(N3CCN(C(C)O)CC3)oc12.
What is the InChIKey of 2-[4-(1-hydroxyethyl)piperazin-1-yl]-8-methyl-7-phenylmethoxychromen-4-one?
The InChIKey is JFWSOBFMPVVAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-16-21(28-15-18-6-4-3-5-7-18)9-8-19-20(27)14-22(29-23(16)19)25-12-10-24(11-13-25)17(2)26/h3-9,14,17,26H,10-13,15H2,1-2H3.
What are the key properties of 2-[4-(1-hydroxyethyl)piperazin-1-yl]-8-methyl-7-phenylmethoxychromen-4-one?
2-[4-(1-hydroxyethyl)piperazin-1-yl]-8-methyl-7-phenylmethoxychromen-4-one has a molecular weight of 394.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)piperazin-1-yl]-8-methyl-7-phenylmethoxychromen-4-one is sourced from PubChem (CID 70052666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).