5-butyl-6-methyl-2,3-dihydro-1-benzofuran;ethane

C15H24O — CID 159893574

IUPAC5-butyl-6-methyl-2,3-dihydro-1-benzofuran;ethane
SMILESCC.CCCCc1cc2c(cc1C)OCC2
InChIInChI=1S/C13H18O.C2H6/c1-3-4-5-11-9-12-6-7-14-13(12)8-10(11)2;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyNVBHTBXTLSQTLR-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.30
Rot. Bonds3

About 5-butyl-6-methyl-2,3-dihydro-1-benzofuran;ethane

5-butyl-6-methyl-2,3-dihydro-1-benzofuran;ethane (PubChem CID 159893574) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 5-butyl-6-methyl-2,3-dihydro-1-benzofuran;ethane.

Molecular Properties

Compound Name5-butyl-6-methyl-2,3-dihydro-1-benzofuran;ethane
PubChem CID159893574
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name5-butyl-6-methyl-2,3-dihydro-1-benzofuran;ethane
SMILESCC.CCCCc1cc2c(cc1C)OCC2
InChIInChI=1S/C13H18O.C2H6/c1-3-4-5-11-9-12-6-7-14-13(12)8-10(11)2;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyNVBHTBXTLSQTLR-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 19098396
ethane;6-methyl-5-(2-methylpentan-2-yl)-2,3-dihydro-1-benzofuran
CID 158202608
6-(3-chloropropyl)-7-methyl-2,3-dihydro-1,4-benzodioxine
CID 116926663
ethane;5-methyl-2,3-dihydro-1-benzofuran-6-amine
CID 145375645
ethane;5-methyl-2,3-dihydro-1-benzofuran;propane
CID 145162253
N-ethyl-N-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 115259606
1-butyl-5-ethyl-2,4-dimethylbenzene
CID 155667588
N-(bromomethyl)-N-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 115262413
6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol
CID 14484893
6-(2-chloroethyl)-7-methyl-2,3-dihydro-1,4-benzodioxine
CID 82470956
N-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine
CID 43788575
7-butyl-2,3-dihydro-1-benzofuran-6-ol;ethane
CID 177208439

Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-methyl-2,3-dihydro-1-benzofuran;ethane?
The IUPAC name of 5-butyl-6-methyl-2,3-dihydro-1-benzofuran;ethane (CID 159893574) is 5-butyl-6-methyl-2,3-dihydro-1-benzofuran;ethane.
What is the SMILES notation for 5-butyl-6-methyl-2,3-dihydro-1-benzofuran;ethane?
The canonical SMILES for 5-butyl-6-methyl-2,3-dihydro-1-benzofuran;ethane is CC.CCCCc1cc2c(cc1C)OCC2.
What is the InChIKey of 5-butyl-6-methyl-2,3-dihydro-1-benzofuran;ethane?
The InChIKey is NVBHTBXTLSQTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C2H6/c1-3-4-5-11-9-12-6-7-14-13(12)8-10(11)2;1-2/h8-9H,3-7H2,1-2H3;1-2H3.
What are the key properties of 5-butyl-6-methyl-2,3-dihydro-1-benzofuran;ethane?
5-butyl-6-methyl-2,3-dihydro-1-benzofuran;ethane has a molecular weight of 220.36 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-methyl-2,3-dihydro-1-benzofuran;ethane is sourced from PubChem (CID 159893574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).