1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one

C9H10O4 — CID 130033868

IUPAC1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one
SMILESO=C(CCO)c1ccc(O)cc1O
InChIInChI=1S/C9H10O4/c10-4-3-8(12)7-2-1-6(11)5-9(7)13/h1-2,5,10-11,13H,3-4H2
InChIKeySUEJNVKQKDNTTP-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.66
Rot. Bonds3

About 1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one

1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one (PubChem CID 130033868) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one
PubChem CID130033868
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one
SMILESO=C(CCO)c1ccc(O)cc1O
InChIInChI=1S/C9H10O4/c10-4-3-8(12)7-2-1-6(11)5-9(7)13/h1-2,5,10-11,13H,3-4H2
InChIKeySUEJNVKQKDNTTP-UHFFFAOYSA-N
XLogP0.66
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dihydroxyphenyl)-2-hydroxyethanone
CID 11715230
3-(diethylamino)-1-(2,4-dihydroxyphenyl)propan-1-one
CID 121004187
azane;1-(2,4-dihydroxyphenyl)-2-hydroxyethanone;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 90353711
2,4-dihydroxybenzoic acid
CID 1491
1-(2-chlorophenyl)-3-(2,4-dihydroxyphenyl)propane-1,3-dione
CID 52916523
2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone
CID 68538226
3-amino-1-(2-hydroxy-4-methylphenyl)propan-1-one
CID 82600154
(2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43416246
1-(2,4-dihydroxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43232339
1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone
CID 16641365
1-(2,4-dihydroxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114798467
(3E)-1-(2,4-dihydroxyphenyl)-3-methylhexa-3,5-dien-1-one
CID 143932136

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one (CID 130033868) is 1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one is O=C(CCO)c1ccc(O)cc1O.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one?
The InChIKey is SUEJNVKQKDNTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c10-4-3-8(12)7-2-1-6(11)5-9(7)13/h1-2,5,10-11,13H,3-4H2.
What are the key properties of 1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one?
1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one has a molecular weight of 182.17 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one is sourced from PubChem (CID 130033868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).