4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran

C13H18O — CID 88975705

IUPAC4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran
SMILESCCC(C)c1c(C)ccc2c1CCO2
InChIInChI=1S/C13H18O/c1-4-9(2)13-10(3)5-6-12-11(13)7-8-14-12/h5-6,9H,4,7-8H2,1-3H3
InChIKeyPMWUCFUGHUXJEN-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.44
Rot. Bonds2

About 4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran

4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran (PubChem CID 88975705) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran
PubChem CID88975705
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran
SMILESCCC(C)c1c(C)ccc2c1CCO2
InChIInChI=1S/C13H18O/c1-4-9(2)13-10(3)5-6-12-11(13)7-8-14-12/h5-6,9H,4,7-8H2,1-3H3
InChIKeyPMWUCFUGHUXJEN-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)propan-1-ol
CID 117283160
4-butan-2-yl-2,3-dihydro-1-benzofuran
CID 144643347
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
4-chloro-5-methyl-2,3-dihydro-1-benzofuran
CID 89474128
4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran
CID 159534872
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine
CID 117309972
2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
CID 117297524
5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane
CID 143804461
6,7-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine;methane
CID 143804420
2-butan-2-yl-3,7,8,9-tetrahydropyrano[3,2-e]indole
CID 156516405
(E)-3-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)prop-2-en-1-amine
CID 117281496

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran (CID 88975705) is 4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran is CCC(C)c1c(C)ccc2c1CCO2.
What is the InChIKey of 4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is PMWUCFUGHUXJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-4-9(2)13-10(3)5-6-12-11(13)7-8-14-12/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran?
4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 190.29 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 88975705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).