(1R)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one

C11H14O6 — CID 163006112

IUPAC(1R)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one
SMILESCOc1cc([C@@H](O)C(=O)CO)cc(OC)c1O
InChIInChI=1S/C11H14O6/c1-16-8-3-6(10(14)7(13)5-12)4-9(17-2)11(8)15/h3-4,10,12,14-15H,5H2,1-2H3/t10-/m1/s1
InChIKeyNHUYEAZIRXDYBS-SNVBAGLBSA-N
MW242.23 g/mol
LogP0.00
Rot. Bonds5

About (1R)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one

(1R)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one (PubChem CID 163006112) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is (1R)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one.

Molecular Properties

Compound Name(1R)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one
PubChem CID163006112
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Name(1R)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one
SMILESCOc1cc([C@@H](O)C(=O)CO)cc(OC)c1O
InChIInChI=1S/C11H14O6/c1-16-8-3-6(10(14)7(13)5-12)4-9(17-2)11(8)15/h3-4,10,12,14-15H,5H2,1-2H3/t10-/m1/s1
InChIKeyNHUYEAZIRXDYBS-SNVBAGLBSA-N
XLogP0.00
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,2S,3R,4S)-1,4-bis(4-hydroxy-3,5-dimethoxyphenyl)-2,3-bis(hydroxymethyl)butane-1,4-diol
CID 162905725
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid
CID 67997136
5-[carboxy(hydroxy)methyl]-2-hydroxy-3-methoxybenzoic acid
CID 117356941
(2S)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 66513064
(2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 124634776
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol
CID 171199776
1-(3,4-dimethoxyphenyl)-1-hydroxy-3-(2-hydroxyphenyl)propan-2-one
CID 141195556
2,6-dimethoxy-4-[(1R)-1-methoxyethyl]phenol
CID 155387777
4-(1-bromoethyl)-2,6-dimethoxyphenol
CID 134832276
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199777
4-[(1S,2S)-2-hydroxy-1-methoxypropyl]-2,6-dimethoxyphenol
CID 122207108
(1S,2R)-3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-disulfonic acid
CID 163116555

Frequently Asked Questions

What is the IUPAC name of (1R)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one?
The IUPAC name of (1R)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one (CID 163006112) is (1R)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one.
What is the SMILES notation for (1R)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one?
The canonical SMILES for (1R)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one is COc1cc([C@@H](O)C(=O)CO)cc(OC)c1O.
What is the InChIKey of (1R)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one?
The InChIKey is NHUYEAZIRXDYBS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14O6/c1-16-8-3-6(10(14)7(13)5-12)4-9(17-2)11(8)15/h3-4,10,12,14-15H,5H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one?
(1R)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one has a molecular weight of 242.23 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one is sourced from PubChem (CID 163006112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).