1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethoxy]-3-methoxyphenyl]ethanone

C19H22O4 — CID 109414325

IUPAC1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethoxy]-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCC(O)c1cc(C)cc(C)c1
InChIInChI=1S/C19H22O4/c1-12-7-13(2)9-16(8-12)17(21)11-23-18-6-5-15(14(3)20)10-19(18)22-4/h5-10,17,21H,11H2,1-4H3
InChIKeySIVOYKUFHCIUTM-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.63
Rot. Bonds6

About 1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethoxy]-3-methoxyphenyl]ethanone

1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethoxy]-3-methoxyphenyl]ethanone (PubChem CID 109414325) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethoxy]-3-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethoxy]-3-methoxyphenyl]ethanone
PubChem CID109414325
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethoxy]-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCC(O)c1cc(C)cc(C)c1
InChIInChI=1S/C19H22O4/c1-12-7-13(2)9-16(8-12)17(21)11-23-18-6-5-15(14(3)20)10-19(18)22-4/h5-10,17,21H,11H2,1-4H3
InChIKeySIVOYKUFHCIUTM-UHFFFAOYSA-N
XLogP3.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethoxy]-3-methoxyphenyl]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

1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethoxy]-3-nitrophenyl]ethanone
CID 109415740
3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537568
1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 62265588
1-[4-[(2S)-3-[4-[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 51623805
1-[4-(2-bromo-3,3,3-trifluoropropoxy)-3-methoxyphenyl]ethanone
CID 64759126
1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 109414138
1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone
CID 43414176
1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone
CID 63531574
1-[4-[2-(bromomethyl)pentoxy]-3-methoxyphenyl]ethanone
CID 65010866
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
[(1R)-2-[[(2R)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]azaniumyl]-1-phenylethyl]-dimethylazanium
CID 8890821
[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-prop-2-enylazanium
CID 2550581

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethoxy]-3-methoxyphenyl]ethanone?
The IUPAC name of 1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethoxy]-3-methoxyphenyl]ethanone (CID 109414325) is 1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethoxy]-3-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethoxy]-3-methoxyphenyl]ethanone?
The canonical SMILES for 1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethoxy]-3-methoxyphenyl]ethanone is COc1cc(C(C)=O)ccc1OCC(O)c1cc(C)cc(C)c1.
What is the InChIKey of 1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethoxy]-3-methoxyphenyl]ethanone?
The InChIKey is SIVOYKUFHCIUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-12-7-13(2)9-16(8-12)17(21)11-23-18-6-5-15(14(3)20)10-19(18)22-4/h5-10,17,21H,11H2,1-4H3.
What are the key properties of 1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethoxy]-3-methoxyphenyl]ethanone?
1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethoxy]-3-methoxyphenyl]ethanone has a molecular weight of 314.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethoxy]-3-methoxyphenyl]ethanone is sourced from PubChem (CID 109414325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).