3-(2-methylbutoxymethyl)-2-methylidenechromene

C16H20O2 — CID 142061992

IUPAC3-(2-methylbutoxymethyl)-2-methylidenechromene
SMILESC=C1Oc2ccccc2C=C1COCC(C)CC
InChIInChI=1S/C16H20O2/c1-4-12(2)10-17-11-15-9-14-7-5-6-8-16(14)18-13(15)3/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyRCWKEHQLQATPTI-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.04
Rot. Bonds5

About 3-(2-methylbutoxymethyl)-2-methylidenechromene

3-(2-methylbutoxymethyl)-2-methylidenechromene (PubChem CID 142061992) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-(2-methylbutoxymethyl)-2-methylidenechromene.

Molecular Properties

Compound Name3-(2-methylbutoxymethyl)-2-methylidenechromene
PubChem CID142061992
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name3-(2-methylbutoxymethyl)-2-methylidenechromene
SMILESC=C1Oc2ccccc2C=C1COCC(C)CC
InChIInChI=1S/C16H20O2/c1-4-12(2)10-17-11-15-9-14-7-5-6-8-16(14)18-13(15)3/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyRCWKEHQLQATPTI-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutoxymethyl)-2-methylidenechromene?
The IUPAC name of 3-(2-methylbutoxymethyl)-2-methylidenechromene (CID 142061992) is 3-(2-methylbutoxymethyl)-2-methylidenechromene.
What is the SMILES notation for 3-(2-methylbutoxymethyl)-2-methylidenechromene?
The canonical SMILES for 3-(2-methylbutoxymethyl)-2-methylidenechromene is C=C1Oc2ccccc2C=C1COCC(C)CC.
What is the InChIKey of 3-(2-methylbutoxymethyl)-2-methylidenechromene?
The InChIKey is RCWKEHQLQATPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-4-12(2)10-17-11-15-9-14-7-5-6-8-16(14)18-13(15)3/h5-9,12H,3-4,10-11H2,1-2H3.
What are the key properties of 3-(2-methylbutoxymethyl)-2-methylidenechromene?
3-(2-methylbutoxymethyl)-2-methylidenechromene has a molecular weight of 244.33 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutoxymethyl)-2-methylidenechromene is sourced from PubChem (CID 142061992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).