1-benzofuran-2-yl-(4-methylphenyl)methanone

C16H12O2 — CID 935764

IUPAC1-benzofuran-2-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C16H12O2/c1-11-6-8-12(9-7-11)16(17)15-10-13-4-2-3-5-14(13)18-15/h2-10H,1H3
InChIKeySAEHZNHUFWMITC-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.97
Rot. Bonds2

About 1-benzofuran-2-yl-(4-methylphenyl)methanone

1-benzofuran-2-yl-(4-methylphenyl)methanone (PubChem CID 935764) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-methylphenyl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-methylphenyl)methanone
PubChem CID935764
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name1-benzofuran-2-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C16H12O2/c1-11-6-8-12(9-7-11)16(17)15-10-13-4-2-3-5-14(13)18-15/h2-10H,1H3
InChIKeySAEHZNHUFWMITC-UHFFFAOYSA-N
XLogP3.97
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-methylphenyl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(4-methylphenyl)methanone (CID 935764) is 1-benzofuran-2-yl-(4-methylphenyl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(4-methylphenyl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of 1-benzofuran-2-yl-(4-methylphenyl)methanone?
The InChIKey is SAEHZNHUFWMITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c1-11-6-8-12(9-7-11)16(17)15-10-13-4-2-3-5-14(13)18-15/h2-10H,1H3.
What are the key properties of 1-benzofuran-2-yl-(4-methylphenyl)methanone?
1-benzofuran-2-yl-(4-methylphenyl)methanone has a molecular weight of 236.27 g/mol, XLogP of 3.97, 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-(4-methylphenyl)methanone is sourced from PubChem (CID 935764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).