2-methyl-6-pentan-3-yl-1-benzofuran

C14H18O — CID 142928007

IUPAC2-methyl-6-pentan-3-yl-1-benzofuran
SMILESCCC(CC)c1ccc2cc(C)oc2c1
InChIInChI=1S/C14H18O/c1-4-11(5-2)12-6-7-13-8-10(3)15-14(13)9-12/h6-9,11H,4-5H2,1-3H3
InChIKeyRZDMJHPKZNQKHO-UHFFFAOYSA-N
MW202.30 g/mol
LogP4.64
Rot. Bonds3

About 2-methyl-6-pentan-3-yl-1-benzofuran

2-methyl-6-pentan-3-yl-1-benzofuran (PubChem CID 142928007) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-methyl-6-pentan-3-yl-1-benzofuran.

Molecular Properties

Compound Name2-methyl-6-pentan-3-yl-1-benzofuran
PubChem CID142928007
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-methyl-6-pentan-3-yl-1-benzofuran
SMILESCCC(CC)c1ccc2cc(C)oc2c1
InChIInChI=1S/C14H18O/c1-4-11(5-2)12-6-7-13-8-10(3)15-14(13)9-12/h6-9,11H,4-5H2,1-3H3
InChIKeyRZDMJHPKZNQKHO-UHFFFAOYSA-N
XLogP4.64
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-benzofuran-6-thiol
CID 142143307
ethane;2-methyl-1-benzofuran-6-amine
CID 168913967
(2-methyl-1-benzofuran-6-yl)methanesulfonyl chloride
CID 84704683
6-pentan-3-ylisoquinoline
CID 126576058
(4-pentan-3-ylphenyl)arsane
CID 173084602
ethyl 2-hydroxy-2-(2-methyl-1-benzofuran-5-yl)acetate
CID 117340140
(E)-but-2-ene;ethane;2-methyl-1-benzofuran
CID 143997020
1-(2-methyl-1-benzofuran-6-yl)piperazine
CID 82614048
3-pentan-3-ylbenzo[c]phenanthrene
CID 123614492
2-(2-methyl-1-benzofuran-6-yl)-2-oxoacetic acid
CID 117292330
1-pentan-3-yl-4-[(4-pentan-3-ylphenyl)disulfanyl]benzene
CID 57099272
6-(5-methylhexan-3-yl)naphthalen-2-ol
CID 123500206

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-pentan-3-yl-1-benzofuran?
The IUPAC name of 2-methyl-6-pentan-3-yl-1-benzofuran (CID 142928007) is 2-methyl-6-pentan-3-yl-1-benzofuran.
What is the SMILES notation for 2-methyl-6-pentan-3-yl-1-benzofuran?
The canonical SMILES for 2-methyl-6-pentan-3-yl-1-benzofuran is CCC(CC)c1ccc2cc(C)oc2c1.
What is the InChIKey of 2-methyl-6-pentan-3-yl-1-benzofuran?
The InChIKey is RZDMJHPKZNQKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-4-11(5-2)12-6-7-13-8-10(3)15-14(13)9-12/h6-9,11H,4-5H2,1-3H3.
What are the key properties of 2-methyl-6-pentan-3-yl-1-benzofuran?
2-methyl-6-pentan-3-yl-1-benzofuran has a molecular weight of 202.30 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-pentan-3-yl-1-benzofuran is sourced from PubChem (CID 142928007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).