(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone

C18H15FO2 — CID 115808993

IUPAC(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cc3cc(F)ccc3o2)c(C)c1
InChIInChI=1S/C18H15FO2/c1-10-6-11(2)17(12(3)7-10)18(20)16-9-13-8-14(19)4-5-15(13)21-16/h4-9H,1-3H3
InChIKeyMHZXRUPLRKDKSW-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.73
Rot. Bonds2

About (5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone

(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 115808993) has the molecular formula C18H15FO2 and a molecular weight of 282.31 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone
PubChem CID115808993
Molecular FormulaC18H15FO2
Molecular Weight282.31 g/mol
Exact Mass282.11
IUPAC Name(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cc3cc(F)ccc3o2)c(C)c1
InChIInChI=1S/C18H15FO2/c1-10-6-11(2)17(12(3)7-10)18(20)16-9-13-8-14(19)4-5-15(13)21-16/h4-9H,1-3H3
InChIKeyMHZXRUPLRKDKSW-UHFFFAOYSA-N
XLogP4.73
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114725891
(5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 113338112
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808106
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanone
CID 105132409
2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
(5-fluoro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 105132324
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine
CID 105046160
(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 115808883
(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 105132443
5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
CID 78843203

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone (CID 115808993) is (5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2cc3cc(F)ccc3o2)c(C)c1.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is MHZXRUPLRKDKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO2/c1-10-6-11(2)17(12(3)7-10)18(20)16-9-13-8-14(19)4-5-15(13)21-16/h4-9H,1-3H3.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone?
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 282.31 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 115808993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).