1-(2,4,6-trihydroxyphenyl)propan-1-one

C9H10O4 — CID 3362

💊View drug profile → flopropione
IUPAC1-(2,4,6-trihydroxyphenyl)propan-1-one
SMILESCCC(=O)c1c(O)cc(O)cc1O
InChIInChI=1S/C9H10O4/c1-2-6(11)9-7(12)3-5(10)4-8(9)13/h3-4,10,12-13H,2H2,1H3
InChIKeyPTHLEKANMPKYDB-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.40
Rot. Bonds2

About 1-(2,4,6-trihydroxyphenyl)propan-1-one

1-(2,4,6-trihydroxyphenyl)propan-1-one (PubChem CID 3362) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 1-(2,4,6-trihydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,4,6-trihydroxyphenyl)propan-1-one
PubChem CID3362
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name1-(2,4,6-trihydroxyphenyl)propan-1-one
SMILESCCC(=O)c1c(O)cc(O)cc1O
InChIInChI=1S/C9H10O4/c1-2-6(11)9-7(12)3-5(10)4-8(9)13/h3-4,10,12-13H,2H2,1H3
InChIKeyPTHLEKANMPKYDB-UHFFFAOYSA-N
XLogP1.40
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Hydroxy-4-methoxybenzophenone
CID 4632
Apigenin
CID 5280443
Phloretin
CID 4788
Chrysin
CID 5281607
Paeonol
CID 11092
4'-Hydroxyacetophenone
CID 7469
Butein
CID 5281222
2,4,6-Trihydroxybenzoic acid
CID 66520
2,2',4,4'-Tetrahydroxybenzophenone
CID 8571
2,2'-Dihydroxy-4-methoxybenzophenone
CID 8569
2'-Hydroxyacetophenone
CID 8375
2,4-Dihydroxybenzoic Acid
CID 1491

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trihydroxyphenyl)propan-1-one?
The IUPAC name of 1-(2,4,6-trihydroxyphenyl)propan-1-one (CID 3362) is 1-(2,4,6-trihydroxyphenyl)propan-1-one.
What is the SMILES notation for 1-(2,4,6-trihydroxyphenyl)propan-1-one?
The canonical SMILES for 1-(2,4,6-trihydroxyphenyl)propan-1-one is CCC(=O)c1c(O)cc(O)cc1O.
What is the InChIKey of 1-(2,4,6-trihydroxyphenyl)propan-1-one?
The InChIKey is PTHLEKANMPKYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-2-6(11)9-7(12)3-5(10)4-8(9)13/h3-4,10,12-13H,2H2,1H3.
What are the key properties of 1-(2,4,6-trihydroxyphenyl)propan-1-one?
1-(2,4,6-trihydroxyphenyl)propan-1-one has a molecular weight of 182.17 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trihydroxyphenyl)propan-1-one is sourced from PubChem (CID 3362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).