4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one

C14H18O2 — CID 114746860

IUPAC4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)c1cccc2c1OCC2
InChIInChI=1S/C14H18O2/c1-10(15)9-14(2,3)12-6-4-5-11-7-8-16-13(11)12/h4-6H,7-9H2,1-3H3
InChIKeyWZGYVMJQGUBILJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.88
Rot. Bonds3

About 4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one

4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one (PubChem CID 114746860) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one
PubChem CID114746860
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)c1cccc2c1OCC2
InChIInChI=1S/C14H18O2/c1-10(15)9-14(2,3)12-6-4-5-11-7-8-16-13(11)12/h4-6H,7-9H2,1-3H3
InChIKeyWZGYVMJQGUBILJ-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran
CID 173236217
(2S)-2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
CID 15605604
2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol
CID 114743757
3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114747537
3-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylpropanoic acid
CID 117314085
2-(2,3-dihydro-1-benzofuran-7-yl)-1-methoxypropan-2-amine
CID 114743871
4-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3,5-dimethylphenyl)methyl]-1,1,1-trifluoro-4-methylpentan-2-ol
CID 10194169
2-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
CID 143454738
1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine
CID 114743817
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814188
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone
CID 114744072
2-[4-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-3,5-dimethyl-1H-pyridin-4-one
CID 91238931

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one (CID 114746860) is 4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one is CC(=O)CC(C)(C)c1cccc2c1OCC2.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one?
The InChIKey is WZGYVMJQGUBILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10(15)9-14(2,3)12-6-4-5-11-7-8-16-13(11)12/h4-6H,7-9H2,1-3H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one?
4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one is sourced from PubChem (CID 114746860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).