(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone

C16H10ClFO2 — CID 106865191

IUPAC(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2cc3cccc(F)c3o2)c(Cl)c1
InChIInChI=1S/C16H10ClFO2/c1-9-5-6-11(12(17)7-9)15(19)14-8-10-3-2-4-13(18)16(10)20-14/h2-8H,1H3
InChIKeyGAXGBFPLNKSPMY-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.76
Rot. Bonds2

About (2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone

(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 106865191) has the molecular formula C16H10ClFO2 and a molecular weight of 288.71 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
PubChem CID106865191
Molecular FormulaC16H10ClFO2
Molecular Weight288.71 g/mol
Exact Mass288.04
IUPAC Name(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2cc3cccc(F)c3o2)c(Cl)c1
InChIInChI=1S/C16H10ClFO2/c1-9-5-6-11(12(17)7-9)15(19)14-8-10-3-2-4-13(18)16(10)20-14/h2-8H,1H3
InChIKeyGAXGBFPLNKSPMY-UHFFFAOYSA-N
XLogP4.76
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809828
(4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115810045
(2-bromo-3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107538168
(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
(7-fluoro-1-benzofuran-2-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877497
(2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone
CID 1480056
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone
CID 115810891
(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone
CID 114725319
(3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957426
(3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809878
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
CID 114725112
(7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone
CID 115808342

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of (2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone (CID 106865191) is (2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone is Cc1ccc(C(=O)c2cc3cccc(F)c3o2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is GAXGBFPLNKSPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFO2/c1-9-5-6-11(12(17)7-9)15(19)14-8-10-3-2-4-13(18)16(10)20-14/h2-8H,1H3.
What are the key properties of (2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone has a molecular weight of 288.71 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 106865191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).