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

C15H22O2 — CID 57164871

IUPAC(5R)-2,2,4-trimethyl-5-propoxy-5,6-dihydrochromene
SMILESCCCO[C@@H]1CC=CC2=C1C(C)=CC(C)(C)O2
InChIInChI=1S/C15H22O2/c1-5-9-16-12-7-6-8-13-14(12)11(2)10-15(3,4)17-13/h6,8,10,12H,5,7,9H2,1-4H3/t12-/m1/s1
InChIKeyGREGQSBUVRUSFU-GFCCVEGCSA-N
MW234.34 g/mol
LogP3.75
Rot. Bonds3

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

(5R)-2,2,4-trimethyl-5-propoxy-5,6-dihydrochromene (PubChem CID 57164871) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (5R)-2,2,4-trimethyl-5-propoxy-5,6-dihydrochromene.

Molecular Properties

Compound Name(5R)-2,2,4-trimethyl-5-propoxy-5,6-dihydrochromene
PubChem CID57164871
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(5R)-2,2,4-trimethyl-5-propoxy-5,6-dihydrochromene
SMILESCCCO[C@@H]1CC=CC2=C1C(C)=CC(C)(C)O2
InChIInChI=1S/C15H22O2/c1-5-9-16-12-7-6-8-13-14(12)11(2)10-15(3,4)17-13/h6,8,10,12H,5,7,9H2,1-4H3/t12-/m1/s1
InChIKeyGREGQSBUVRUSFU-GFCCVEGCSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-2,2,4-trimethyl-5-propoxy-5,6-dihydrochromene?
The IUPAC name of (5R)-2,2,4-trimethyl-5-propoxy-5,6-dihydrochromene (CID 57164871) is (5R)-2,2,4-trimethyl-5-propoxy-5,6-dihydrochromene.
What is the SMILES notation for (5R)-2,2,4-trimethyl-5-propoxy-5,6-dihydrochromene?
The canonical SMILES for (5R)-2,2,4-trimethyl-5-propoxy-5,6-dihydrochromene is CCCO[C@@H]1CC=CC2=C1C(C)=CC(C)(C)O2.
What is the InChIKey of (5R)-2,2,4-trimethyl-5-propoxy-5,6-dihydrochromene?
The InChIKey is GREGQSBUVRUSFU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-9-16-12-7-6-8-13-14(12)11(2)10-15(3,4)17-13/h6,8,10,12H,5,7,9H2,1-4H3/t12-/m1/s1.
What are the key properties of (5R)-2,2,4-trimethyl-5-propoxy-5,6-dihydrochromene?
(5R)-2,2,4-trimethyl-5-propoxy-5,6-dihydrochromene has a molecular weight of 234.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,2,4-trimethyl-5-propoxy-5,6-dihydrochromene is sourced from PubChem (CID 57164871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).