3-(2,4-dihydroxy-5-methoxyphenyl)prop-1-en-1-one

C10H10O4 — CID 91508925

IUPAC3-(2,4-dihydroxy-5-methoxyphenyl)prop-1-en-1-one
SMILESCOc1cc(CC=C=O)c(O)cc1O
InChIInChI=1S/C10H10O4/c1-14-10-5-7(3-2-4-11)8(12)6-9(10)13/h2,5-6,12-13H,3H2,1H3
InChIKeyIISZHUJAIDCBIV-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.04
Rot. Bonds3

About 3-(2,4-dihydroxy-5-methoxyphenyl)prop-1-en-1-one

3-(2,4-dihydroxy-5-methoxyphenyl)prop-1-en-1-one (PubChem CID 91508925) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-(2,4-dihydroxy-5-methoxyphenyl)prop-1-en-1-one.

Molecular Properties

Compound Name3-(2,4-dihydroxy-5-methoxyphenyl)prop-1-en-1-one
PubChem CID91508925
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name3-(2,4-dihydroxy-5-methoxyphenyl)prop-1-en-1-one
SMILESCOc1cc(CC=C=O)c(O)cc1O
InChIInChI=1S/C10H10O4/c1-14-10-5-7(3-2-4-11)8(12)6-9(10)13/h2,5-6,12-13H,3H2,1H3
InChIKeyIISZHUJAIDCBIV-UHFFFAOYSA-N
XLogP1.04
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxy-5-methoxyphenyl)prop-1-en-1-one?
The IUPAC name of 3-(2,4-dihydroxy-5-methoxyphenyl)prop-1-en-1-one (CID 91508925) is 3-(2,4-dihydroxy-5-methoxyphenyl)prop-1-en-1-one.
What is the SMILES notation for 3-(2,4-dihydroxy-5-methoxyphenyl)prop-1-en-1-one?
The canonical SMILES for 3-(2,4-dihydroxy-5-methoxyphenyl)prop-1-en-1-one is COc1cc(CC=C=O)c(O)cc1O.
What is the InChIKey of 3-(2,4-dihydroxy-5-methoxyphenyl)prop-1-en-1-one?
The InChIKey is IISZHUJAIDCBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-14-10-5-7(3-2-4-11)8(12)6-9(10)13/h2,5-6,12-13H,3H2,1H3.
What are the key properties of 3-(2,4-dihydroxy-5-methoxyphenyl)prop-1-en-1-one?
3-(2,4-dihydroxy-5-methoxyphenyl)prop-1-en-1-one has a molecular weight of 194.19 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxy-5-methoxyphenyl)prop-1-en-1-one is sourced from PubChem (CID 91508925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).