1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone

C15H20O3 — CID 59879197

IUPAC1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone
SMILESCC(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1
InChIInChI=1S/C15H20O3/c1-8-9(2)14-12(10(3)13(8)17)6-7-15(5,18-14)11(4)16/h17H,6-7H2,1-5H3/t15-/m0/s1
InChIKeyXMKVKKWSRUBAEY-HNNXBMFYSA-N
MW248.32 g/mol
LogP2.99
Rot. Bonds1

About 1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone

1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone (PubChem CID 59879197) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone
PubChem CID59879197
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone
SMILESCC(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1
InChIInChI=1S/C15H20O3/c1-8-9(2)14-12(10(3)13(8)17)6-7-15(5,18-14)11(4)16/h17H,6-7H2,1-5H3/t15-/m0/s1
InChIKeyXMKVKKWSRUBAEY-HNNXBMFYSA-N
XLogP2.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone?
The IUPAC name of 1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone (CID 59879197) is 1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone.
What is the SMILES notation for 1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone?
The canonical SMILES for 1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone is CC(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1.
What is the InChIKey of 1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone?
The InChIKey is XMKVKKWSRUBAEY-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20O3/c1-8-9(2)14-12(10(3)13(8)17)6-7-15(5,18-14)11(4)16/h17H,6-7H2,1-5H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone?
1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone has a molecular weight of 248.32 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone is sourced from PubChem (CID 59879197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).