2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone

C21H24O3 — CID 144809262

IUPAC2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone
SMILESC=C(C)c1ccc(CC(=O)c2ccc(O)cc2O)c(CCCC)c1
InChIInChI=1S/C21H24O3/c1-4-5-6-16-11-15(14(2)3)7-8-17(16)12-20(23)19-10-9-18(22)13-21(19)24/h7-11,13,22,24H,2,4-6,12H2,1,3H3
InChIKeyIKBMSESFLZQBJT-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.90
Rot. Bonds7

About 2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone

2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone (PubChem CID 144809262) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone
PubChem CID144809262
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone
SMILESC=C(C)c1ccc(CC(=O)c2ccc(O)cc2O)c(CCCC)c1
InChIInChI=1S/C21H24O3/c1-4-5-6-16-11-15(14(2)3)7-8-17(16)12-20(23)19-10-9-18(22)13-21(19)24/h7-11,13,22,24H,2,4-6,12H2,1,3H3
InChIKeyIKBMSESFLZQBJT-UHFFFAOYSA-N
XLogP4.90
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)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-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone;4-chloro-1,2-dimethylbenzene
CID 144809261
2-(4-acetyl-2-butylphenyl)-1-(4-hydroxy-2-methylphenyl)ethanone
CID 144809292
bis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone
CID 54475373
1-(5-hydroxy-2-prop-1-en-2-ylphenyl)propan-2-one
CID 89164195
1-(5-prop-1-en-2-yl-2-propylphenyl)ethanone
CID 162722129
(E)-1-(2,4-dihydroxyphenyl)-3-ethenyl-4-methyloct-3-en-1-one
CID 144809326
2-(iodomethyl)-4-prop-1-en-2-ylphenol
CID 54302731
4-tricosylbenzene-1,3-diol
CID 101133990
2-[butyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone
CID 43219653
N-(4-butanoyl-3-hydroxyphenyl)acetamide;N-(4-butyl-3-hydroxyphenyl)acetamide
CID 67641008
1-(3-but-3-enyl-4-butylphenyl)ethanone
CID 130327544
1-(2,4-dihydroxyphenyl)-2-hydroxyethanone
CID 11715230

Frequently Asked Questions

What is the IUPAC name of 2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone?
The IUPAC name of 2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone (CID 144809262) is 2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone.
What is the SMILES notation for 2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone?
The canonical SMILES for 2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone is C=C(C)c1ccc(CC(=O)c2ccc(O)cc2O)c(CCCC)c1.
What is the InChIKey of 2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone?
The InChIKey is IKBMSESFLZQBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O3/c1-4-5-6-16-11-15(14(2)3)7-8-17(16)12-20(23)19-10-9-18(22)13-21(19)24/h7-11,13,22,24H,2,4-6,12H2,1,3H3.
What are the key properties of 2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone?
2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone has a molecular weight of 324.42 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone is sourced from PubChem (CID 144809262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).