1-(2,6-dihydroxy-4-methoxyphenyl)pentan-1-one

C12H16O4 — CID 71367224

IUPAC1-(2,6-dihydroxy-4-methoxyphenyl)pentan-1-one
SMILESCCCCC(=O)c1c(O)cc(OC)cc1O
InChIInChI=1S/C12H16O4/c1-3-4-5-9(13)12-10(14)6-8(16-2)7-11(12)15/h6-7,14-15H,3-5H2,1-2H3
InChIKeyRSDBBCCTTGZZLG-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.48
Rot. Bonds5

About 1-(2,6-dihydroxy-4-methoxyphenyl)pentan-1-one

1-(2,6-dihydroxy-4-methoxyphenyl)pentan-1-one (PubChem CID 71367224) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(2,6-dihydroxy-4-methoxyphenyl)pentan-1-one.

Molecular Properties

Compound Name1-(2,6-dihydroxy-4-methoxyphenyl)pentan-1-one
PubChem CID71367224
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name1-(2,6-dihydroxy-4-methoxyphenyl)pentan-1-one
SMILESCCCCC(=O)c1c(O)cc(OC)cc1O
InChIInChI=1S/C12H16O4/c1-3-4-5-9(13)12-10(14)6-8(16-2)7-11(12)15/h6-7,14-15H,3-5H2,1-2H3
InChIKeyRSDBBCCTTGZZLG-UHFFFAOYSA-N
XLogP2.48
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4,6-trihydroxyphenyl)hexadecan-1-one
CID 23426751
1-(2,4,6-trimethoxyphenyl)dodecan-1-one
CID 11617254
3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
CID 10955251
1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-propoxyphenyl)propan-1-one
CID 161090757
1-(3,5-dimethoxyphenyl)tridecan-1-one
CID 154094399
methyl 5-oxo-5-(2,4,6-trihydroxyphenyl)pentanoate
CID 96710201
1-(6-hydroxy-2,3,4-trimethoxyphenyl)octan-1-one
CID 14873632
1-(2,4,6-trihydroxy-3-octadecanoylphenyl)octadecan-1-one
CID 44571474
2-iodo-4-methoxy-6-pentanoylbenzoic acid
CID 142614419
ethyl 2-[3-hydroxy-2-[(7S)-7-hydroxyoctanoyl]-5-methoxyphenyl]acetate
CID 163044993
1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)hexadecan-1-one
CID 171120738
methyl 4-oxo-4-(2,4,6-trihydroxyphenyl)butanoate
CID 96710199

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dihydroxy-4-methoxyphenyl)pentan-1-one?
The IUPAC name of 1-(2,6-dihydroxy-4-methoxyphenyl)pentan-1-one (CID 71367224) is 1-(2,6-dihydroxy-4-methoxyphenyl)pentan-1-one.
What is the SMILES notation for 1-(2,6-dihydroxy-4-methoxyphenyl)pentan-1-one?
The canonical SMILES for 1-(2,6-dihydroxy-4-methoxyphenyl)pentan-1-one is CCCCC(=O)c1c(O)cc(OC)cc1O.
What is the InChIKey of 1-(2,6-dihydroxy-4-methoxyphenyl)pentan-1-one?
The InChIKey is RSDBBCCTTGZZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-3-4-5-9(13)12-10(14)6-8(16-2)7-11(12)15/h6-7,14-15H,3-5H2,1-2H3.
What are the key properties of 1-(2,6-dihydroxy-4-methoxyphenyl)pentan-1-one?
1-(2,6-dihydroxy-4-methoxyphenyl)pentan-1-one has a molecular weight of 224.26 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dihydroxy-4-methoxyphenyl)pentan-1-one is sourced from PubChem (CID 71367224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).