(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone

C17H14O3 — CID 54103779

IUPAC(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccc(C(=O)c2cc3cccc(C)c3o2)cc1
InChIInChI=1S/C17H14O3/c1-11-4-3-5-13-10-15(20-17(11)13)16(18)12-6-8-14(19-2)9-7-12/h3-10H,1-2H3
InChIKeyNCICAKCUTUVVMS-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.98
Rot. Bonds3

About (4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone

(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone (PubChem CID 54103779) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
PubChem CID54103779
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccc(C(=O)c2cc3cccc(C)c3o2)cc1
InChIInChI=1S/C17H14O3/c1-11-4-3-5-13-10-15(20-17(11)13)16(18)12-6-8-14(19-2)9-7-12/h3-10H,1-2H3
InChIKeyNCICAKCUTUVVMS-UHFFFAOYSA-N
XLogP3.98
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 115808386
[4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736158
(2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 115957340
(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 112614517
(4-bromo-3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114726267
2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725058
N-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide
CID 100795374
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
[4-(4-methoxyphenyl)piperazin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 48981638
(2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 114737213
(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 115808396
(7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone
CID 115808342

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone (CID 54103779) is (4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone is COc1ccc(C(=O)c2cc3cccc(C)c3o2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is NCICAKCUTUVVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-11-4-3-5-13-10-15(20-17(11)13)16(18)12-6-8-14(19-2)9-7-12/h3-10H,1-2H3.
What are the key properties of (4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone?
(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 266.30 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 54103779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).