4-methyl-3-(2-methyl-1-benzofuran-3-yl)-3,4-dihydro-2H-chromene

C19H18O2 — CID 23542478

IUPAC4-methyl-3-(2-methyl-1-benzofuran-3-yl)-3,4-dihydro-2H-chromene
SMILESCc1oc2ccccc2c1C1COc2ccccc2C1C
InChIInChI=1S/C19H18O2/c1-12-14-7-3-5-9-17(14)20-11-16(12)19-13(2)21-18-10-6-4-8-15(18)19/h3-10,12,16H,11H2,1-2H3
InChIKeyXUVGPZUZABGZBK-UHFFFAOYSA-N
MW278.35 g/mol
LogP5.02
Rot. Bonds1

About 4-methyl-3-(2-methyl-1-benzofuran-3-yl)-3,4-dihydro-2H-chromene

4-methyl-3-(2-methyl-1-benzofuran-3-yl)-3,4-dihydro-2H-chromene (PubChem CID 23542478) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-methyl-3-(2-methyl-1-benzofuran-3-yl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name4-methyl-3-(2-methyl-1-benzofuran-3-yl)-3,4-dihydro-2H-chromene
PubChem CID23542478
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name4-methyl-3-(2-methyl-1-benzofuran-3-yl)-3,4-dihydro-2H-chromene
SMILESCc1oc2ccccc2c1C1COc2ccccc2C1C
InChIInChI=1S/C19H18O2/c1-12-14-7-3-5-9-17(14)20-11-16(12)19-13(2)21-18-10-6-4-8-15(18)19/h3-10,12,16H,11H2,1-2H3
InChIKeyXUVGPZUZABGZBK-UHFFFAOYSA-N
XLogP5.02
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.35
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methyl-1-benzofuran-3-yl)-3,4-dihydro-2H-chromene?
The IUPAC name of 4-methyl-3-(2-methyl-1-benzofuran-3-yl)-3,4-dihydro-2H-chromene (CID 23542478) is 4-methyl-3-(2-methyl-1-benzofuran-3-yl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 4-methyl-3-(2-methyl-1-benzofuran-3-yl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 4-methyl-3-(2-methyl-1-benzofuran-3-yl)-3,4-dihydro-2H-chromene is Cc1oc2ccccc2c1C1COc2ccccc2C1C.
What is the InChIKey of 4-methyl-3-(2-methyl-1-benzofuran-3-yl)-3,4-dihydro-2H-chromene?
The InChIKey is XUVGPZUZABGZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-12-14-7-3-5-9-17(14)20-11-16(12)19-13(2)21-18-10-6-4-8-15(18)19/h3-10,12,16H,11H2,1-2H3.
What are the key properties of 4-methyl-3-(2-methyl-1-benzofuran-3-yl)-3,4-dihydro-2H-chromene?
4-methyl-3-(2-methyl-1-benzofuran-3-yl)-3,4-dihydro-2H-chromene has a molecular weight of 278.35 g/mol, XLogP of 5.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methyl-1-benzofuran-3-yl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 23542478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).