2-ethyl-7-methoxy-2-propyl-3,4-dihydrochromene

C15H22O2 — CID 172625552

IUPAC2-ethyl-7-methoxy-2-propyl-3,4-dihydrochromene
SMILESCCCC1(CC)CCc2ccc(OC)cc2O1
InChIInChI=1S/C15H22O2/c1-4-9-15(5-2)10-8-12-6-7-13(16-3)11-14(12)17-15/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyUZBCONQYARQWNL-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.97
Rot. Bonds4

About 2-ethyl-7-methoxy-2-propyl-3,4-dihydrochromene

2-ethyl-7-methoxy-2-propyl-3,4-dihydrochromene (PubChem CID 172625552) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-ethyl-7-methoxy-2-propyl-3,4-dihydrochromene.

Molecular Properties

Compound Name2-ethyl-7-methoxy-2-propyl-3,4-dihydrochromene
PubChem CID172625552
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-ethyl-7-methoxy-2-propyl-3,4-dihydrochromene
SMILESCCCC1(CC)CCc2ccc(OC)cc2O1
InChIInChI=1S/C15H22O2/c1-4-9-15(5-2)10-8-12-6-7-13(16-3)11-14(12)17-15/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyUZBCONQYARQWNL-UHFFFAOYSA-N
XLogP3.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methoxy-2-propyl-3,4-dihydrochromene?
The IUPAC name of 2-ethyl-7-methoxy-2-propyl-3,4-dihydrochromene (CID 172625552) is 2-ethyl-7-methoxy-2-propyl-3,4-dihydrochromene.
What is the SMILES notation for 2-ethyl-7-methoxy-2-propyl-3,4-dihydrochromene?
The canonical SMILES for 2-ethyl-7-methoxy-2-propyl-3,4-dihydrochromene is CCCC1(CC)CCc2ccc(OC)cc2O1.
What is the InChIKey of 2-ethyl-7-methoxy-2-propyl-3,4-dihydrochromene?
The InChIKey is UZBCONQYARQWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-9-15(5-2)10-8-12-6-7-13(16-3)11-14(12)17-15/h6-7,11H,4-5,8-10H2,1-3H3.
What are the key properties of 2-ethyl-7-methoxy-2-propyl-3,4-dihydrochromene?
2-ethyl-7-methoxy-2-propyl-3,4-dihydrochromene has a molecular weight of 234.34 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methoxy-2-propyl-3,4-dihydrochromene is sourced from PubChem (CID 172625552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).