(5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone

C16H11FO2 — CID 113338112

IUPAC(5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C16H11FO2/c1-10-4-2-3-5-13(10)16(18)15-9-11-8-12(17)6-7-14(11)19-15/h2-9H,1H3
InChIKeyGNHGBSPYVYDPPD-UHFFFAOYSA-N
MW254.26 g/mol
LogP4.11
Rot. Bonds2

About (5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone

(5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone (PubChem CID 113338112) has the molecular formula C16H11FO2 and a molecular weight of 254.26 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone
PubChem CID113338112
Molecular FormulaC16H11FO2
Molecular Weight254.26 g/mol
Exact Mass254.07
IUPAC Name(5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C16H11FO2/c1-10-4-2-3-5-13(10)16(18)15-9-11-8-12(17)6-7-14(11)19-15/h2-9H,1H3
InChIKeyGNHGBSPYVYDPPD-UHFFFAOYSA-N
XLogP4.11
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanone
CID 105132409
(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 115808883
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114725891
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 115808993
(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 105132443
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808106
(2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 107944793
(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114724999
(5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
CID 115766377
(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 112614517
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
(2-bromo-3,4-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 107538000

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone (CID 113338112) is (5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1cc2cc(F)ccc2o1.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone?
The InChIKey is GNHGBSPYVYDPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO2/c1-10-4-2-3-5-13(10)16(18)15-9-11-8-12(17)6-7-14(11)19-15/h2-9H,1H3.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone?
(5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone has a molecular weight of 254.26 g/mol, XLogP of 4.11, 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-methylphenyl)methanone is sourced from PubChem (CID 113338112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).