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

C17H16O3 — CID 43297098

IUPAC(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESCOc1cccc(C(=O)c2ccc3c(c2)CC(C)O3)c1
InChIInChI=1S/C17H16O3/c1-11-8-14-9-13(6-7-16(14)20-11)17(18)12-4-3-5-15(10-12)19-2/h3-7,9-11H,8H2,1-2H3
InChIKeyITERXYMTZSAIBO-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.25
Rot. Bonds3

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

(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone (PubChem CID 43297098) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
PubChem CID43297098
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESCOc1cccc(C(=O)c2ccc3c(c2)CC(C)O3)c1
InChIInChI=1S/C17H16O3/c1-11-8-14-9-13(6-7-16(14)20-11)17(18)12-4-3-5-15(10-12)19-2/h3-7,9-11H,8H2,1-2H3
InChIKeyITERXYMTZSAIBO-UHFFFAOYSA-N
XLogP3.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297105
(E)-3-(2,5-dimethoxyphenyl)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-one
CID 7649118
(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61081834
N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782602
(4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297054
2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid
CID 43297113
(3-bromo-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 81471610
(E)-3-(4-methoxyphenyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-en-1-one
CID 6288850
(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
(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)-(2,4,6-trifluorophenyl)methanone
CID 65101051

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone (CID 43297098) is (3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone is COc1cccc(C(=O)c2ccc3c(c2)CC(C)O3)c1.
What is the InChIKey of (3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
The InChIKey is ITERXYMTZSAIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-11-8-14-9-13(6-7-16(14)20-11)17(18)12-4-3-5-15(10-12)19-2/h3-7,9-11H,8H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone has a molecular weight of 268.31 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 43297098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).