(2R)-7-hydroxy-2,6,8-trimethyl-2,3-dihydrochromen-4-one

C12H14O3 — CID 52953388

IUPAC(2R)-7-hydroxy-2,6,8-trimethyl-2,3-dihydrochromen-4-one
SMILESCc1cc2c(c(C)c1O)O[C@H](C)CC2=O
InChIInChI=1S/C12H14O3/c1-6-4-9-10(13)5-7(2)15-12(9)8(3)11(6)14/h4,7,14H,5H2,1-3H3/t7-/m1/s1
InChIKeyNRMKSSJMSPJBPA-SSDOTTSWSA-N
MW206.24 g/mol
LogP2.36
Rot. Bonds

About (2R)-7-hydroxy-2,6,8-trimethyl-2,3-dihydrochromen-4-one

(2R)-7-hydroxy-2,6,8-trimethyl-2,3-dihydrochromen-4-one (PubChem CID 52953388) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2R)-7-hydroxy-2,6,8-trimethyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R)-7-hydroxy-2,6,8-trimethyl-2,3-dihydrochromen-4-one
PubChem CID52953388
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(2R)-7-hydroxy-2,6,8-trimethyl-2,3-dihydrochromen-4-one
SMILESCc1cc2c(c(C)c1O)O[C@H](C)CC2=O
InChIInChI=1S/C12H14O3/c1-6-4-9-10(13)5-7(2)15-12(9)8(3)11(6)14/h4,7,14H,5H2,1-3H3/t7-/m1/s1
InChIKeyNRMKSSJMSPJBPA-SSDOTTSWSA-N
XLogP2.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-7-hydroxy-2,6,8-trimethyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2R)-7-hydroxy-2,6,8-trimethyl-2,3-dihydrochromen-4-one (CID 52953388) is (2R)-7-hydroxy-2,6,8-trimethyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R)-7-hydroxy-2,6,8-trimethyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R)-7-hydroxy-2,6,8-trimethyl-2,3-dihydrochromen-4-one is Cc1cc2c(c(C)c1O)O[C@H](C)CC2=O.
What is the InChIKey of (2R)-7-hydroxy-2,6,8-trimethyl-2,3-dihydrochromen-4-one?
The InChIKey is NRMKSSJMSPJBPA-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H14O3/c1-6-4-9-10(13)5-7(2)15-12(9)8(3)11(6)14/h4,7,14H,5H2,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-7-hydroxy-2,6,8-trimethyl-2,3-dihydrochromen-4-one?
(2R)-7-hydroxy-2,6,8-trimethyl-2,3-dihydrochromen-4-one has a molecular weight of 206.24 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-hydroxy-2,6,8-trimethyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 52953388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).