1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone

C20H14O2 — CID 11055263

IUPAC1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone
SMILESCc1cc(C(=O)c2cc3ccccc3o2)c2cccccc1-2
InChIInChI=1S/C20H14O2/c1-13-11-17(16-9-4-2-3-8-15(13)16)20(21)19-12-14-7-5-6-10-18(14)22-19/h2-12H,1H3
InChIKeyHRWLZVQOMHUQHQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP5.08
Rot. Bonds2

About 1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone

1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone (PubChem CID 11055263) has the molecular formula C20H14O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone
PubChem CID11055263
Molecular FormulaC20H14O2
Molecular Weight286.33 g/mol
Exact Mass286.10
IUPAC Name1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone
SMILESCc1cc(C(=O)c2cc3ccccc3o2)c2cccccc1-2
InChIInChI=1S/C20H14O2/c1-13-11-17(16-9-4-2-3-8-15(13)16)20(21)19-12-14-7-5-6-10-18(14)22-19/h2-12H,1H3
InChIKeyHRWLZVQOMHUQHQ-UHFFFAOYSA-N
XLogP5.08
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.33
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(5-methyl-1-benzofuran-2-carbonyl)azulene-1-carboxylate
CID 10882473
1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone
CID 115807026
1-(1-benzofuran-2-yl)ethanone
CID 15435
(3-ethylazulen-1-yl)-(6-methoxy-1-benzofuran-2-yl)methanone
CID 11012943
1-benzofuran-2-yl-(2-ethyl-3-hydroxyphenyl)methanone
CID 141300148
1-benzofuran-2-yl(2-benzofuran-1-yl)methanone
CID 141203650
1-benzofuran-2-yl-(5-bromo-2-iodophenyl)methanone
CID 114032573
1-benzofuran-2-yl-(5-hydroxy-1-benzofuran-2-yl)methanone
CID 58035506
1-benzofuran-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 114737357
1-(1-benzofuran-2-yl)ethanone;molecular hydrogen;toluene;dihydrate
CID 142129811
(5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 113338112
(5-amino-1H-pyrazol-4-yl)-(1-benzofuran-2-yl)methanone
CID 114725427

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone (CID 11055263) is 1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone is Cc1cc(C(=O)c2cc3ccccc3o2)c2cccccc1-2.
What is the InChIKey of 1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone?
The InChIKey is HRWLZVQOMHUQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2/c1-13-11-17(16-9-4-2-3-8-15(13)16)20(21)19-12-14-7-5-6-10-18(14)22-19/h2-12H,1H3.
What are the key properties of 1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone?
1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone is sourced from PubChem (CID 11055263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).