(2R)-2-hydroxy-2-propyl-4,6,7,8-tetrahydro-3H-chromen-5-one

C12H18O3 — CID 156582572

IUPAC(2R)-2-hydroxy-2-propyl-4,6,7,8-tetrahydro-3H-chromen-5-one
SMILESCCC[C@]1(O)CCC2=C(CCCC2=O)O1
InChIInChI=1S/C12H18O3/c1-2-7-12(14)8-6-9-10(13)4-3-5-11(9)15-12/h14H,2-8H2,1H3/t12-/m1/s1
InChIKeyNYWDNCMJSZYMGN-GFCCVEGCSA-N
MW210.27 g/mol
LogP2.29
Rot. Bonds2

About (2R)-2-hydroxy-2-propyl-4,6,7,8-tetrahydro-3H-chromen-5-one

(2R)-2-hydroxy-2-propyl-4,6,7,8-tetrahydro-3H-chromen-5-one (PubChem CID 156582572) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-propyl-4,6,7,8-tetrahydro-3H-chromen-5-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-propyl-4,6,7,8-tetrahydro-3H-chromen-5-one
PubChem CID156582572
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(2R)-2-hydroxy-2-propyl-4,6,7,8-tetrahydro-3H-chromen-5-one
SMILESCCC[C@]1(O)CCC2=C(CCCC2=O)O1
InChIInChI=1S/C12H18O3/c1-2-7-12(14)8-6-9-10(13)4-3-5-11(9)15-12/h14H,2-8H2,1H3/t12-/m1/s1
InChIKeyNYWDNCMJSZYMGN-GFCCVEGCSA-N
XLogP2.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-propyl-4,6,7,8-tetrahydro-3H-chromen-5-one?
The IUPAC name of (2R)-2-hydroxy-2-propyl-4,6,7,8-tetrahydro-3H-chromen-5-one (CID 156582572) is (2R)-2-hydroxy-2-propyl-4,6,7,8-tetrahydro-3H-chromen-5-one.
What is the SMILES notation for (2R)-2-hydroxy-2-propyl-4,6,7,8-tetrahydro-3H-chromen-5-one?
The canonical SMILES for (2R)-2-hydroxy-2-propyl-4,6,7,8-tetrahydro-3H-chromen-5-one is CCC[C@]1(O)CCC2=C(CCCC2=O)O1.
What is the InChIKey of (2R)-2-hydroxy-2-propyl-4,6,7,8-tetrahydro-3H-chromen-5-one?
The InChIKey is NYWDNCMJSZYMGN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18O3/c1-2-7-12(14)8-6-9-10(13)4-3-5-11(9)15-12/h14H,2-8H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-propyl-4,6,7,8-tetrahydro-3H-chromen-5-one?
(2R)-2-hydroxy-2-propyl-4,6,7,8-tetrahydro-3H-chromen-5-one has a molecular weight of 210.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-propyl-4,6,7,8-tetrahydro-3H-chromen-5-one is sourced from PubChem (CID 156582572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).