1-(2,4-dihydroxy-5-prop-1-enyl-3-propylphenyl)ethanone

C14H18O3 — CID 54075797

IUPAC1-(2,4-dihydroxy-5-prop-1-enyl-3-propylphenyl)ethanone
SMILESCC=Cc1cc(C(C)=O)c(O)c(CCC)c1O
InChIInChI=1S/C14H18O3/c1-4-6-10-8-12(9(3)15)14(17)11(7-5-2)13(10)16/h4,6,8,16-17H,5,7H2,1-3H3
InChIKeyMJOTVVAUMGEQDB-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.29
Rot. Bonds4

About 1-(2,4-dihydroxy-5-prop-1-enyl-3-propylphenyl)ethanone

1-(2,4-dihydroxy-5-prop-1-enyl-3-propylphenyl)ethanone (PubChem CID 54075797) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-(2,4-dihydroxy-5-prop-1-enyl-3-propylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxy-5-prop-1-enyl-3-propylphenyl)ethanone
PubChem CID54075797
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name1-(2,4-dihydroxy-5-prop-1-enyl-3-propylphenyl)ethanone
SMILESCC=Cc1cc(C(C)=O)c(O)c(CCC)c1O
InChIInChI=1S/C14H18O3/c1-4-6-10-8-12(9(3)15)14(17)11(7-5-2)13(10)16/h4,6,8,16-17H,5,7H2,1-3H3
InChIKeyMJOTVVAUMGEQDB-UHFFFAOYSA-N
XLogP3.29
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxy-5-prop-1-enyl-3-propylphenyl)ethanone?
The IUPAC name of 1-(2,4-dihydroxy-5-prop-1-enyl-3-propylphenyl)ethanone (CID 54075797) is 1-(2,4-dihydroxy-5-prop-1-enyl-3-propylphenyl)ethanone.
What is the SMILES notation for 1-(2,4-dihydroxy-5-prop-1-enyl-3-propylphenyl)ethanone?
The canonical SMILES for 1-(2,4-dihydroxy-5-prop-1-enyl-3-propylphenyl)ethanone is CC=Cc1cc(C(C)=O)c(O)c(CCC)c1O.
What is the InChIKey of 1-(2,4-dihydroxy-5-prop-1-enyl-3-propylphenyl)ethanone?
The InChIKey is MJOTVVAUMGEQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-6-10-8-12(9(3)15)14(17)11(7-5-2)13(10)16/h4,6,8,16-17H,5,7H2,1-3H3.
What are the key properties of 1-(2,4-dihydroxy-5-prop-1-enyl-3-propylphenyl)ethanone?
1-(2,4-dihydroxy-5-prop-1-enyl-3-propylphenyl)ethanone has a molecular weight of 234.29 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxy-5-prop-1-enyl-3-propylphenyl)ethanone is sourced from PubChem (CID 54075797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).