4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methyloxan-2-one

C15H20O5 — CID 12878322

IUPAC4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methyloxan-2-one
SMILESCOc1cc(CCC2CC(C)(O)CC(=O)O2)ccc1O
InChIInChI=1S/C15H20O5/c1-15(18)8-11(20-14(17)9-15)5-3-10-4-6-12(16)13(7-10)19-2/h4,6-7,11,16,18H,3,5,8-9H2,1-2H3
InChIKeyUAUZQRNKKFVQOY-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.79
Rot. Bonds4

About 4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methyloxan-2-one

4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methyloxan-2-one (PubChem CID 12878322) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methyloxan-2-one.

Molecular Properties

Compound Name4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methyloxan-2-one
PubChem CID12878322
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methyloxan-2-one
SMILESCOc1cc(CCC2CC(C)(O)CC(=O)O2)ccc1O
InChIInChI=1S/C15H20O5/c1-15(18)8-11(20-14(17)9-15)5-3-10-4-6-12(16)13(7-10)19-2/h4,6-7,11,16,18H,3,5,8-9H2,1-2H3
InChIKeyUAUZQRNKKFVQOY-UHFFFAOYSA-N
XLogP1.79
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-4-methyl-6-[2-(4-phenoxyphenyl)ethyl]oxan-2-one
CID 23466030
2-methoxy-4-[2-[(4R,6R)-6-pentyl-1,3-dioxan-4-yl]ethyl]phenol
CID 163059421
CID 175936648
CID 175936648
ethane;2-methoxy-4-propylphenol
CID 144852330
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
[2-(3,4-dihydroxy-5-spiro[4.4]nonan-3-yloxyphenyl)-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]oxan-4-yl] acetate
CID 162826908
4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol
CID 11356573
1,3,5-trihydroxy-4-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxy]cyclohexane-1-carboxylic acid
CID 137473867
[(2S,4R,6S)-2-(3-cyclopentyloxy-4,5-dihydroxyphenyl)-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]oxan-4-yl] acetate
CID 162830870
2-methoxy-4-[2-(3-nonyloxiran-2-yl)ethyl]phenol
CID 137432150
2-cyclopentyl-4-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3H-pyran-6-one
CID 54689531
tris(2-methoxy-4-propylphenol);phosphoric acid
CID 71328492

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methyloxan-2-one?
The IUPAC name of 4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methyloxan-2-one (CID 12878322) is 4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methyloxan-2-one.
What is the SMILES notation for 4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methyloxan-2-one?
The canonical SMILES for 4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methyloxan-2-one is COc1cc(CCC2CC(C)(O)CC(=O)O2)ccc1O.
What is the InChIKey of 4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methyloxan-2-one?
The InChIKey is UAUZQRNKKFVQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-15(18)8-11(20-14(17)9-15)5-3-10-4-6-12(16)13(7-10)19-2/h4,6-7,11,16,18H,3,5,8-9H2,1-2H3.
What are the key properties of 4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methyloxan-2-one?
4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methyloxan-2-one has a molecular weight of 280.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methyloxan-2-one is sourced from PubChem (CID 12878322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).