4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)ethanone

C20H24O5 — CID 175146958

IUPAC4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)ethanone
SMILESCC(=O)c1ccc(O)cc1.CCOc1cc(CCC(C)=O)ccc1O
InChIInChI=1S/C12H16O3.C8H8O2/c1-3-15-12-8-10(5-4-9(2)13)6-7-11(12)14;1-6(9)7-2-4-8(10)5-3-7/h6-8,14H,3-5H2,1-2H3;2-5,10H,1H3
InChIKeyWPVFGSWMDXIIIW-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.91
Rot. Bonds6

About 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)ethanone

4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)ethanone (PubChem CID 175146958) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)ethanone
PubChem CID175146958
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)ethanone
SMILESCC(=O)c1ccc(O)cc1.CCOc1cc(CCC(C)=O)ccc1O
InChIInChI=1S/C12H16O3.C8H8O2/c1-3-15-12-8-10(5-4-9(2)13)6-7-11(12)14;1-6(9)7-2-4-8(10)5-3-7/h6-8,14H,3-5H2,1-2H3;2-5,10H,1H3
InChIKeyWPVFGSWMDXIIIW-UHFFFAOYSA-N
XLogP3.91
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)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

4-(3-ethoxy-4-hydroxyphenyl)butan-2-one
CID 45094126
4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;3-methyl-4-propan-2-ylphenol
CID 175307667
4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;2-phenylethanol
CID 137372095
1-(3-ethoxy-4-hydroxyphenyl)butan-2-one
CID 154133962
2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde
CID 54156927
4-[2-(3-ethoxy-4-hydroxyphenyl)ethylamino]-4-oxobutanoic acid
CID 9151773
4-[(3S)-3-aminobutyl]-2-ethoxyphenol
CID 94920449
3-(3-ethoxy-4-hydroxyphenyl)-2-oxopropanoic acid
CID 16781603
butane;1-(4-hydroxyphenyl)ethanone
CID 142352310
3-(3,4-diethoxyphenyl)propanamide
CID 28631811
ethyl 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate
CID 103601084
ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]propanoate
CID 66907182

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)ethanone?
The IUPAC name of 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)ethanone (CID 175146958) is 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)ethanone is CC(=O)c1ccc(O)cc1.CCOc1cc(CCC(C)=O)ccc1O.
What is the InChIKey of 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)ethanone?
The InChIKey is WPVFGSWMDXIIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3.C8H8O2/c1-3-15-12-8-10(5-4-9(2)13)6-7-11(12)14;1-6(9)7-2-4-8(10)5-3-7/h6-8,14H,3-5H2,1-2H3;2-5,10H,1H3.
What are the key properties of 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)ethanone?
4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)ethanone has a molecular weight of 344.41 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 175146958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).