5-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran;propane

C19H24O — CID 142100880

IUPAC5-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran;propane
SMILESCCC.Cc1ccc(-c2cc(C)cc3c2OCC3)cc1
InChIInChI=1S/C16H16O.C3H8/c1-11-3-5-13(6-4-11)15-10-12(2)9-14-7-8-17-16(14)15;1-3-2/h3-6,9-10H,7-8H2,1-2H3;3H2,1-2H3
InChIKeyFYRYUWDNWLIDJG-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.32
Rot. Bonds1

About 5-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran;propane

5-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran;propane (PubChem CID 142100880) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 5-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran;propane.

Molecular Properties

Compound Name5-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran;propane
PubChem CID142100880
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name5-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran;propane
SMILESCCC.Cc1ccc(-c2cc(C)cc3c2OCC3)cc1
InChIInChI=1S/C16H16O.C3H8/c1-11-3-5-13(6-4-11)15-10-12(2)9-14-7-8-17-16(14)15;1-3-2/h3-6,9-10H,7-8H2,1-2H3;3H2,1-2H3
InChIKeyFYRYUWDNWLIDJG-UHFFFAOYSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)phenyl]methanamine
CID 174553963
7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 23543625
5-methyl-7-(5-methylthiophen-2-yl)-2,3-dihydro-1-benzofuran
CID 23543547
ethane;5-methyl-2,3-dihydro-1-benzofuran;propane
CID 145162253
2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 69108447
ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane
CID 143222384
ethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran
CID 177214189
(2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 130617223
5-(4-methylphenyl)-2,3-dihydro-1-benzofuran-7-carboxylic acid
CID 69166433
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-5-(phenylmethoxymethyl)-1,3,4-oxadiazole
CID 166274301
[5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703299

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran;propane?
The IUPAC name of 5-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran;propane (CID 142100880) is 5-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran;propane.
What is the SMILES notation for 5-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran;propane?
The canonical SMILES for 5-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran;propane is CCC.Cc1ccc(-c2cc(C)cc3c2OCC3)cc1.
What is the InChIKey of 5-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran;propane?
The InChIKey is FYRYUWDNWLIDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O.C3H8/c1-11-3-5-13(6-4-11)15-10-12(2)9-14-7-8-17-16(14)15;1-3-2/h3-6,9-10H,7-8H2,1-2H3;3H2,1-2H3.
What are the key properties of 5-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran;propane?
5-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran;propane has a molecular weight of 268.40 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran;propane is sourced from PubChem (CID 142100880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).