1-(2,4-dihydroxy-3-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone

C19H22N2O3 — CID 7162002

IUPAC1-(2,4-dihydroxy-3-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1c(O)ccc(C(=O)CN2CCN(c3ccccc3)CC2)c1O
InChIInChI=1S/C19H22N2O3/c1-14-17(22)8-7-16(19(14)24)18(23)13-20-9-11-21(12-10-20)15-5-3-2-4-6-15/h2-8,22,24H,9-13H2,1H3
InChIKeyVFNQRWQAJRFKIH-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.41
Rot. Bonds4

About 1-(2,4-dihydroxy-3-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone

1-(2,4-dihydroxy-3-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 7162002) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(2,4-dihydroxy-3-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxy-3-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone
PubChem CID7162002
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-(2,4-dihydroxy-3-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1c(O)ccc(C(=O)CN2CCN(c3ccccc3)CC2)c1O
InChIInChI=1S/C19H22N2O3/c1-14-17(22)8-7-16(19(14)24)18(23)13-20-9-11-21(12-10-20)15-5-3-2-4-6-15/h2-8,22,24H,9-13H2,1H3
InChIKeyVFNQRWQAJRFKIH-UHFFFAOYSA-N
XLogP2.41
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-dihydroxy-3-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

(2,4-Dihydroxy-5-isopropyl-phenyl)[5-(4-methyl-piperazin-1-yl)-1,3-di-hydro-isoindol-2-yl]-methanone
CID 11955634
Methanone, (2,4-dihydroxyphenyl)[4-(dimethylamino)phenyl]-
CID 825840
Mordant violet 1
CID 111302
1-(2,4-Dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 7162004
(2E)-1-(2,4-dihydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 5815007
Methyl 2-hydroxy-5-[1-hydroxy-2-[4-(2-methylphenyl)-1-piperazinyl]ethyl]benzoate hydrochloride
CID 20287113
2-Hydroxy-5-[1-hydroxy-2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzamide;dihydrochloride
CID 20287116
(2,4-Dihydroxy-5-propan-2-ylphenyl)-[4-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-2-yl]methanone
CID 24891721
(2,4-dihydroxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 117967655
(2,4-dihydroxyphenyl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 117967696
(2,4-dihydroxyphenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 117968039
N-benzyl-2,4-dihydroxy-N-phenylbenzamide
CID 117972616

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxy-3-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2,4-dihydroxy-3-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone (CID 7162002) is 1-(2,4-dihydroxy-3-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2,4-dihydroxy-3-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2,4-dihydroxy-3-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone is Cc1c(O)ccc(C(=O)CN2CCN(c3ccccc3)CC2)c1O.
What is the InChIKey of 1-(2,4-dihydroxy-3-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is VFNQRWQAJRFKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-17(22)8-7-16(19(14)24)18(23)13-20-9-11-21(12-10-20)15-5-3-2-4-6-15/h2-8,22,24H,9-13H2,1H3.
What are the key properties of 1-(2,4-dihydroxy-3-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone?
1-(2,4-dihydroxy-3-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 326.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxy-3-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 7162002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).