(2R)-2-hydroxy-1-(2-methoxyphenyl)hexane-1,5-dione

C13H16O4 — CID 101179657

IUPAC(2R)-2-hydroxy-1-(2-methoxyphenyl)hexane-1,5-dione
SMILESCOc1ccccc1C(=O)[C@H](O)CCC(C)=O
InChIInChI=1S/C13H16O4/c1-9(14)7-8-11(15)13(16)10-5-3-4-6-12(10)17-2/h3-6,11,15H,7-8H2,1-2H3/t11-/m1/s1
InChIKeyVRUVNYOQJMZISV-LLVKDONJSA-N
MW236.27 g/mol
LogP1.61
Rot. Bonds6

About (2R)-2-hydroxy-1-(2-methoxyphenyl)hexane-1,5-dione

(2R)-2-hydroxy-1-(2-methoxyphenyl)hexane-1,5-dione (PubChem CID 101179657) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-(2-methoxyphenyl)hexane-1,5-dione.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-(2-methoxyphenyl)hexane-1,5-dione
PubChem CID101179657
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name(2R)-2-hydroxy-1-(2-methoxyphenyl)hexane-1,5-dione
SMILESCOc1ccccc1C(=O)[C@H](O)CCC(C)=O
InChIInChI=1S/C13H16O4/c1-9(14)7-8-11(15)13(16)10-5-3-4-6-12(10)17-2/h3-6,11,15H,7-8H2,1-2H3/t11-/m1/s1
InChIKeyVRUVNYOQJMZISV-LLVKDONJSA-N
XLogP1.61
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-hydroxy-1,5-bis(2-methoxyphenyl)pentane-1,5-dione
CID 11738943
(2R)-2-hydroxy-1-phenylhexane-1,5-dione
CID 125485700
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
(2R)-2-hydroxy-1-(2-methoxyphenyl)-2-methylhexane-1,5-dione
CID 101235095
(2S)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723757
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723758
5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one
CID 116613631
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
CID 75357386
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-(2-methoxyphenyl)hexan-1-one
CID 118952443
2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoic acid
CID 54172457

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-(2-methoxyphenyl)hexane-1,5-dione?
The IUPAC name of (2R)-2-hydroxy-1-(2-methoxyphenyl)hexane-1,5-dione (CID 101179657) is (2R)-2-hydroxy-1-(2-methoxyphenyl)hexane-1,5-dione.
What is the SMILES notation for (2R)-2-hydroxy-1-(2-methoxyphenyl)hexane-1,5-dione?
The canonical SMILES for (2R)-2-hydroxy-1-(2-methoxyphenyl)hexane-1,5-dione is COc1ccccc1C(=O)[C@H](O)CCC(C)=O.
What is the InChIKey of (2R)-2-hydroxy-1-(2-methoxyphenyl)hexane-1,5-dione?
The InChIKey is VRUVNYOQJMZISV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16O4/c1-9(14)7-8-11(15)13(16)10-5-3-4-6-12(10)17-2/h3-6,11,15H,7-8H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-(2-methoxyphenyl)hexane-1,5-dione?
(2R)-2-hydroxy-1-(2-methoxyphenyl)hexane-1,5-dione has a molecular weight of 236.27 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-(2-methoxyphenyl)hexane-1,5-dione is sourced from PubChem (CID 101179657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).