(5R)-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene

C13H18O2 — CID 57274132

IUPAC(5R)-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene
SMILESCO[C@@H]1CC=CC2=C1C(C)=CC(C)(C)O2
InChIInChI=1S/C13H18O2/c1-9-8-13(2,3)15-11-7-5-6-10(14-4)12(9)11/h5,7-8,10H,6H2,1-4H3/t10-/m1/s1
InChIKeyPCJJBIJYUNKEGV-SNVBAGLBSA-N
MW206.28 g/mol
LogP2.97
Rot. Bonds1

About (5R)-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene

(5R)-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene (PubChem CID 57274132) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (5R)-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene.

Molecular Properties

Compound Name(5R)-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene
PubChem CID57274132
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(5R)-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene
SMILESCO[C@@H]1CC=CC2=C1C(C)=CC(C)(C)O2
InChIInChI=1S/C13H18O2/c1-9-8-13(2,3)15-11-7-5-6-10(14-4)12(9)11/h5,7-8,10H,6H2,1-4H3/t10-/m1/s1
InChIKeyPCJJBIJYUNKEGV-SNVBAGLBSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene?
The IUPAC name of (5R)-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene (CID 57274132) is (5R)-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene.
What is the SMILES notation for (5R)-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene?
The canonical SMILES for (5R)-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene is CO[C@@H]1CC=CC2=C1C(C)=CC(C)(C)O2.
What is the InChIKey of (5R)-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene?
The InChIKey is PCJJBIJYUNKEGV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-8-13(2,3)15-11-7-5-6-10(14-4)12(9)11/h5,7-8,10H,6H2,1-4H3/t10-/m1/s1.
What are the key properties of (5R)-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene?
(5R)-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene has a molecular weight of 206.28 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene is sourced from PubChem (CID 57274132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).