3-butan-2-yl-6-methoxy-3,4-dihydro-2H-chromene

C14H20O2 — CID 144757857

IUPAC3-butan-2-yl-6-methoxy-3,4-dihydro-2H-chromene
SMILESCCC(C)C1COc2ccc(OC)cc2C1
InChIInChI=1S/C14H20O2/c1-4-10(2)12-7-11-8-13(15-3)5-6-14(11)16-9-12/h5-6,8,10,12H,4,7,9H2,1-3H3
InChIKeyZFJCQMUAVSVWET-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.29
Rot. Bonds3

About 3-butan-2-yl-6-methoxy-3,4-dihydro-2H-chromene

3-butan-2-yl-6-methoxy-3,4-dihydro-2H-chromene (PubChem CID 144757857) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-butan-2-yl-6-methoxy-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name3-butan-2-yl-6-methoxy-3,4-dihydro-2H-chromene
PubChem CID144757857
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-butan-2-yl-6-methoxy-3,4-dihydro-2H-chromene
SMILESCCC(C)C1COc2ccc(OC)cc2C1
InChIInChI=1S/C14H20O2/c1-4-10(2)12-7-11-8-13(15-3)5-6-14(11)16-9-12/h5-6,8,10,12H,4,7,9H2,1-3H3
InChIKeyZFJCQMUAVSVWET-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6-methoxy-3,4-dihydro-2H-chromene?
The IUPAC name of 3-butan-2-yl-6-methoxy-3,4-dihydro-2H-chromene (CID 144757857) is 3-butan-2-yl-6-methoxy-3,4-dihydro-2H-chromene.
What is the SMILES notation for 3-butan-2-yl-6-methoxy-3,4-dihydro-2H-chromene?
The canonical SMILES for 3-butan-2-yl-6-methoxy-3,4-dihydro-2H-chromene is CCC(C)C1COc2ccc(OC)cc2C1.
What is the InChIKey of 3-butan-2-yl-6-methoxy-3,4-dihydro-2H-chromene?
The InChIKey is ZFJCQMUAVSVWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-10(2)12-7-11-8-13(15-3)5-6-14(11)16-9-12/h5-6,8,10,12H,4,7,9H2,1-3H3.
What are the key properties of 3-butan-2-yl-6-methoxy-3,4-dihydro-2H-chromene?
3-butan-2-yl-6-methoxy-3,4-dihydro-2H-chromene has a molecular weight of 220.31 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-6-methoxy-3,4-dihydro-2H-chromene is sourced from PubChem (CID 144757857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).