2,3-dihydroxy-1-(2-hydroxy-3-methoxyphenyl)propan-1-one

C10H12O5 — CID 141355227

IUPAC2,3-dihydroxy-1-(2-hydroxy-3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(C(=O)C(O)CO)c1O
InChIInChI=1S/C10H12O5/c1-15-8-4-2-3-6(10(8)14)9(13)7(12)5-11/h2-4,7,11-12,14H,5H2,1H3
InChIKeyYWMCRSOWFQOISX-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.06
Rot. Bonds4

About 2,3-dihydroxy-1-(2-hydroxy-3-methoxyphenyl)propan-1-one

2,3-dihydroxy-1-(2-hydroxy-3-methoxyphenyl)propan-1-one (PubChem CID 141355227) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2,3-dihydroxy-1-(2-hydroxy-3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2,3-dihydroxy-1-(2-hydroxy-3-methoxyphenyl)propan-1-one
PubChem CID141355227
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name2,3-dihydroxy-1-(2-hydroxy-3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(C(=O)C(O)CO)c1O
InChIInChI=1S/C10H12O5/c1-15-8-4-2-3-6(10(8)14)9(13)7(12)5-11/h2-4,7,11-12,14H,5H2,1H3
InChIKeyYWMCRSOWFQOISX-UHFFFAOYSA-N
XLogP-0.06
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 60653927
N-(2-ethylbutyl)-2-hydroxy-3-methoxybenzamide
CID 115613558
2-hydroxy-4-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 114006239
(2S)-2-hydroxy-4-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 114006576
2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945214
(2-hydroxy-3-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 67681144
2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide
CID 24773714
2,3-dihydroxy-1-(2-hydroxyphenyl)propan-1-one;hydrate
CID 140998893
2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide
CID 60655994
3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 24697724
butanoyl 2-hydroxy-3-methoxybenzoate
CID 174943423
N-cyclopropyl-2-hydroxy-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 43576768

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-1-(2-hydroxy-3-methoxyphenyl)propan-1-one?
The IUPAC name of 2,3-dihydroxy-1-(2-hydroxy-3-methoxyphenyl)propan-1-one (CID 141355227) is 2,3-dihydroxy-1-(2-hydroxy-3-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2,3-dihydroxy-1-(2-hydroxy-3-methoxyphenyl)propan-1-one?
The canonical SMILES for 2,3-dihydroxy-1-(2-hydroxy-3-methoxyphenyl)propan-1-one is COc1cccc(C(=O)C(O)CO)c1O.
What is the InChIKey of 2,3-dihydroxy-1-(2-hydroxy-3-methoxyphenyl)propan-1-one?
The InChIKey is YWMCRSOWFQOISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-15-8-4-2-3-6(10(8)14)9(13)7(12)5-11/h2-4,7,11-12,14H,5H2,1H3.
What are the key properties of 2,3-dihydroxy-1-(2-hydroxy-3-methoxyphenyl)propan-1-one?
2,3-dihydroxy-1-(2-hydroxy-3-methoxyphenyl)propan-1-one has a molecular weight of 212.20 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-1-(2-hydroxy-3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 141355227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).