2,4-dihydroxy-1-(3-hydroxyphenyl)butan-1-one

C10H12O4 — CID 22382756

IUPAC2,4-dihydroxy-1-(3-hydroxyphenyl)butan-1-one
SMILESO=C(c1cccc(O)c1)C(O)CCO
InChIInChI=1S/C10H12O4/c11-5-4-9(13)10(14)7-2-1-3-8(12)6-7/h1-3,6,9,11-13H,4-5H2
InChIKeySPYRRBMYESBPDO-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.32
Rot. Bonds4

About 2,4-dihydroxy-1-(3-hydroxyphenyl)butan-1-one

2,4-dihydroxy-1-(3-hydroxyphenyl)butan-1-one (PubChem CID 22382756) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2,4-dihydroxy-1-(3-hydroxyphenyl)butan-1-one.

Molecular Properties

Compound Name2,4-dihydroxy-1-(3-hydroxyphenyl)butan-1-one
PubChem CID22382756
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2,4-dihydroxy-1-(3-hydroxyphenyl)butan-1-one
SMILESO=C(c1cccc(O)c1)C(O)CCO
InChIInChI=1S/C10H12O4/c11-5-4-9(13)10(14)7-2-1-3-8(12)6-7/h1-3,6,9,11-13H,4-5H2
InChIKeySPYRRBMYESBPDO-UHFFFAOYSA-N
XLogP0.32
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
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2-amino-1-(3-hydroxyphenyl)propan-1-one;hydrochloride
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1-(3-hydroxyphenyl)-2,2-dimethoxyethanone
CID 19101529
1-(3-chlorophenyl)-2-hydroxypentan-1-one
CID 67470935
4-(3-hydroxyphenyl)-3-methyl-4-oxobutanenitrile
CID 82038311
(2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one
CID 125480458
2-hydroxy-1-(3-propylphenyl)pentan-1-one
CID 103453885
CID 174830791
CID 174830791
3-hydroxybenzoic acid;hydrochloride
CID 118389750
CID 66671873
CID 66671873
3-acetamido-2-hydroxy-4-(3-hydroxyphenyl)-4-oxobutanoic acid
CID 12945659
1-(3-hydroxyphenyl)-2-(methylamino)-3-phenylpropan-1-one
CID 56974178

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-1-(3-hydroxyphenyl)butan-1-one?
The IUPAC name of 2,4-dihydroxy-1-(3-hydroxyphenyl)butan-1-one (CID 22382756) is 2,4-dihydroxy-1-(3-hydroxyphenyl)butan-1-one.
What is the SMILES notation for 2,4-dihydroxy-1-(3-hydroxyphenyl)butan-1-one?
The canonical SMILES for 2,4-dihydroxy-1-(3-hydroxyphenyl)butan-1-one is O=C(c1cccc(O)c1)C(O)CCO.
What is the InChIKey of 2,4-dihydroxy-1-(3-hydroxyphenyl)butan-1-one?
The InChIKey is SPYRRBMYESBPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c11-5-4-9(13)10(14)7-2-1-3-8(12)6-7/h1-3,6,9,11-13H,4-5H2.
What are the key properties of 2,4-dihydroxy-1-(3-hydroxyphenyl)butan-1-one?
2,4-dihydroxy-1-(3-hydroxyphenyl)butan-1-one has a molecular weight of 196.20 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-1-(3-hydroxyphenyl)butan-1-one is sourced from PubChem (CID 22382756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).