(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone

C17H14O2 — CID 112614517

IUPAC(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1cc2cccc(C)c2o1
InChIInChI=1S/C17H14O2/c1-11-6-3-4-9-14(11)16(18)15-10-13-8-5-7-12(2)17(13)19-15/h3-10H,1-2H3
InChIKeyPYKRFUPZSSBJQN-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.28
Rot. Bonds2

About (7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone

(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone (PubChem CID 112614517) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
PubChem CID112614517
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1cc2cccc(C)c2o1
InChIInChI=1S/C17H14O2/c1-11-6-3-4-9-14(11)16(18)15-10-13-8-5-7-12(2)17(13)19-15/h3-10H,1-2H3
InChIKeyPYKRFUPZSSBJQN-UHFFFAOYSA-N
XLogP4.28
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 107957391
(4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 115808386
(4-bromo-3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114726267
(7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone
CID 115808342
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
(7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 115810708
[4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736158
(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 54103779
(2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 115957340
(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 115808396
(5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 113338112
(2-ethyl-5-methylpyrazol-3-yl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 105132100

Frequently Asked Questions

What is the IUPAC name of (7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone?
The IUPAC name of (7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone (CID 112614517) is (7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1cc2cccc(C)c2o1.
What is the InChIKey of (7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone?
The InChIKey is PYKRFUPZSSBJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c1-11-6-3-4-9-14(11)16(18)15-10-13-8-5-7-12(2)17(13)19-15/h3-10H,1-2H3.
What are the key properties of (7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone?
(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone has a molecular weight of 250.30 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 112614517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).