(7S,8S)-8-ethyl-7-hydroxy-2,3,8-trimethyl-6,7-dihydro-5H-chromen-4-one

C14H20O3 — CID 135122000

IUPAC(7S,8S)-8-ethyl-7-hydroxy-2,3,8-trimethyl-6,7-dihydro-5H-chromen-4-one
SMILESCC[C@]1(C)c2oc(C)c(C)c(=O)c2CC[C@@H]1O
InChIInChI=1S/C14H20O3/c1-5-14(4)11(15)7-6-10-12(16)8(2)9(3)17-13(10)14/h11,15H,5-7H2,1-4H3/t11-,14-/m0/s1
InChIKeyWMZJGCFVOBRJOX-FZMZJTMJSA-N
MW236.31 g/mol
LogP2.23
Rot. Bonds1

About (7S,8S)-8-ethyl-7-hydroxy-2,3,8-trimethyl-6,7-dihydro-5H-chromen-4-one

(7S,8S)-8-ethyl-7-hydroxy-2,3,8-trimethyl-6,7-dihydro-5H-chromen-4-one (PubChem CID 135122000) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (7S,8S)-8-ethyl-7-hydroxy-2,3,8-trimethyl-6,7-dihydro-5H-chromen-4-one.

Molecular Properties

Compound Name(7S,8S)-8-ethyl-7-hydroxy-2,3,8-trimethyl-6,7-dihydro-5H-chromen-4-one
PubChem CID135122000
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(7S,8S)-8-ethyl-7-hydroxy-2,3,8-trimethyl-6,7-dihydro-5H-chromen-4-one
SMILESCC[C@]1(C)c2oc(C)c(C)c(=O)c2CC[C@@H]1O
InChIInChI=1S/C14H20O3/c1-5-14(4)11(15)7-6-10-12(16)8(2)9(3)17-13(10)14/h11,15H,5-7H2,1-4H3/t11-,14-/m0/s1
InChIKeyWMZJGCFVOBRJOX-FZMZJTMJSA-N
XLogP2.23
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7S,8S)-8-ethyl-7-hydroxy-2,3,8-trimethyl-6,7-dihydro-5H-chromen-4-one?
The IUPAC name of (7S,8S)-8-ethyl-7-hydroxy-2,3,8-trimethyl-6,7-dihydro-5H-chromen-4-one (CID 135122000) is (7S,8S)-8-ethyl-7-hydroxy-2,3,8-trimethyl-6,7-dihydro-5H-chromen-4-one.
What is the SMILES notation for (7S,8S)-8-ethyl-7-hydroxy-2,3,8-trimethyl-6,7-dihydro-5H-chromen-4-one?
The canonical SMILES for (7S,8S)-8-ethyl-7-hydroxy-2,3,8-trimethyl-6,7-dihydro-5H-chromen-4-one is CC[C@]1(C)c2oc(C)c(C)c(=O)c2CC[C@@H]1O.
What is the InChIKey of (7S,8S)-8-ethyl-7-hydroxy-2,3,8-trimethyl-6,7-dihydro-5H-chromen-4-one?
The InChIKey is WMZJGCFVOBRJOX-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-14(4)11(15)7-6-10-12(16)8(2)9(3)17-13(10)14/h11,15H,5-7H2,1-4H3/t11-,14-/m0/s1.
What are the key properties of (7S,8S)-8-ethyl-7-hydroxy-2,3,8-trimethyl-6,7-dihydro-5H-chromen-4-one?
(7S,8S)-8-ethyl-7-hydroxy-2,3,8-trimethyl-6,7-dihydro-5H-chromen-4-one has a molecular weight of 236.31 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8S)-8-ethyl-7-hydroxy-2,3,8-trimethyl-6,7-dihydro-5H-chromen-4-one is sourced from PubChem (CID 135122000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).