1-(3,5-dihydroxy-4-propan-2-yloxyphenyl)ethanone

C11H14O4 — CID 15326154

IUPAC1-(3,5-dihydroxy-4-propan-2-yloxyphenyl)ethanone
SMILESCC(=O)c1cc(O)c(OC(C)C)c(O)c1
InChIInChI=1S/C11H14O4/c1-6(2)15-11-9(13)4-8(7(3)12)5-10(11)14/h4-6,13-14H,1-3H3
InChIKeyOHTZAQBTCNRMDB-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.09
Rot. Bonds3

About 1-(3,5-dihydroxy-4-propan-2-yloxyphenyl)ethanone

1-(3,5-dihydroxy-4-propan-2-yloxyphenyl)ethanone (PubChem CID 15326154) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-(3,5-dihydroxy-4-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3,5-dihydroxy-4-propan-2-yloxyphenyl)ethanone
PubChem CID15326154
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name1-(3,5-dihydroxy-4-propan-2-yloxyphenyl)ethanone
SMILESCC(=O)c1cc(O)c(OC(C)C)c(O)c1
InChIInChI=1S/C11H14O4/c1-6(2)15-11-9(13)4-8(7(3)12)5-10(11)14/h4-6,13-14H,1-3H3
InChIKeyOHTZAQBTCNRMDB-UHFFFAOYSA-N
XLogP2.09
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dihydroxy-4-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 1-(3,5-dihydroxy-4-propan-2-yloxyphenyl)ethanone (CID 15326154) is 1-(3,5-dihydroxy-4-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(3,5-dihydroxy-4-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 1-(3,5-dihydroxy-4-propan-2-yloxyphenyl)ethanone is CC(=O)c1cc(O)c(OC(C)C)c(O)c1.
What is the InChIKey of 1-(3,5-dihydroxy-4-propan-2-yloxyphenyl)ethanone?
The InChIKey is OHTZAQBTCNRMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-6(2)15-11-9(13)4-8(7(3)12)5-10(11)14/h4-6,13-14H,1-3H3.
What are the key properties of 1-(3,5-dihydroxy-4-propan-2-yloxyphenyl)ethanone?
1-(3,5-dihydroxy-4-propan-2-yloxyphenyl)ethanone has a molecular weight of 210.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dihydroxy-4-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 15326154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).