(4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone

C18H18O2 — CID 43297054

IUPAC(4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESCCc1ccc(C(=O)c2ccc3c(c2)CC(C)O3)cc1
InChIInChI=1S/C18H18O2/c1-3-13-4-6-14(7-5-13)18(19)15-8-9-17-16(11-15)10-12(2)20-17/h4-9,11-12H,3,10H2,1-2H3
InChIKeyWGGXYKHMUULNEI-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.80
Rot. Bonds3

About (4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone

(4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone (PubChem CID 43297054) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
PubChem CID43297054
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESCCc1ccc(C(=O)c2ccc3c(c2)CC(C)O3)cc1
InChIInChI=1S/C18H18O2/c1-3-13-4-6-14(7-5-13)18(19)15-8-9-17-16(11-15)10-12(2)20-17/h4-9,11-12H,3,10H2,1-2H3
InChIKeyWGGXYKHMUULNEI-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 79985945
(3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297105
(3-bromo-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 81471610
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trimethylphenyl)methanone
CID 43297079
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone
CID 43297030
(4-bromo-3-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 63491672
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-nitrofuran-2-yl)methanone
CID 43463830
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101051
(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297098
(2,4-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297091
2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid
CID 43297113

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
The IUPAC name of (4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone (CID 43297054) is (4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone.
What is the SMILES notation for (4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
The canonical SMILES for (4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone is CCc1ccc(C(=O)c2ccc3c(c2)CC(C)O3)cc1.
What is the InChIKey of (4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
The InChIKey is WGGXYKHMUULNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-3-13-4-6-14(7-5-13)18(19)15-8-9-17-16(11-15)10-12(2)20-17/h4-9,11-12H,3,10H2,1-2H3.
What are the key properties of (4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
(4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 43297054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).