1-(2,4-dihydroxyphenyl)-2-(4-propan-2-yloxyphenyl)ethanone

C17H18O4 — CID 765925

IUPAC1-(2,4-dihydroxyphenyl)-2-(4-propan-2-yloxyphenyl)ethanone
SMILESCC(C)Oc1ccc(CC(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C17H18O4/c1-11(2)21-14-6-3-12(4-7-14)9-16(19)15-8-5-13(18)10-17(15)20/h3-8,10-11,18,20H,9H2,1-2H3
InChIKeyZCSDOIJUIWYSSV-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.31
Rot. Bonds5

About 1-(2,4-dihydroxyphenyl)-2-(4-propan-2-yloxyphenyl)ethanone

1-(2,4-dihydroxyphenyl)-2-(4-propan-2-yloxyphenyl)ethanone (PubChem CID 765925) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-2-(4-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-2-(4-propan-2-yloxyphenyl)ethanone
PubChem CID765925
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name1-(2,4-dihydroxyphenyl)-2-(4-propan-2-yloxyphenyl)ethanone
SMILESCC(C)Oc1ccc(CC(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C17H18O4/c1-11(2)21-14-6-3-12(4-7-14)9-16(19)15-8-5-13(18)10-17(15)20/h3-8,10-11,18,20H,9H2,1-2H3
InChIKeyZCSDOIJUIWYSSV-UHFFFAOYSA-N
XLogP3.31
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 15126648
1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
CID 91871428
2-oxo-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 57248551
propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate
CID 16637947
1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone
CID 91871423
2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91871425
bis(4-butoxy-2-hydroxyphenyl)methanone;bis(2-hydroxy-4-propan-2-yloxyphenyl)methanone
CID 162086592
1-(2-hydroxy-4-methoxyphenyl)-2-(6-methylnaphthalen-2-yl)ethanone
CID 86168500
1-(2,4-dihydroxyphenyl)-2-hydroxyethanone
CID 11715230
1-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 58402413
ethane;4-propan-2-yloxyphenol
CID 142348653
1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone
CID 678669

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(4-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(4-propan-2-yloxyphenyl)ethanone (CID 765925) is 1-(2,4-dihydroxyphenyl)-2-(4-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-2-(4-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-2-(4-propan-2-yloxyphenyl)ethanone is CC(C)Oc1ccc(CC(=O)c2ccc(O)cc2O)cc1.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-2-(4-propan-2-yloxyphenyl)ethanone?
The InChIKey is ZCSDOIJUIWYSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-11(2)21-14-6-3-12(4-7-14)9-16(19)15-8-5-13(18)10-17(15)20/h3-8,10-11,18,20H,9H2,1-2H3.
What are the key properties of 1-(2,4-dihydroxyphenyl)-2-(4-propan-2-yloxyphenyl)ethanone?
1-(2,4-dihydroxyphenyl)-2-(4-propan-2-yloxyphenyl)ethanone has a molecular weight of 286.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-2-(4-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 765925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).