(2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone

C16H12F2O2 — CID 82814438

IUPAC(2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
SMILESCc1ccc(F)c(C(=O)c2ccc3c(c2)COC3)c1F
InChIInChI=1S/C16H12F2O2/c1-9-2-5-13(17)14(15(9)18)16(19)10-3-4-11-7-20-8-12(11)6-10/h2-6H,7-8H2,1H3
InChIKeyAOYMDHNSIWKLDP-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.53
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone

(2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone (PubChem CID 82814438) has the molecular formula C16H12F2O2 and a molecular weight of 274.27 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
PubChem CID82814438
Molecular FormulaC16H12F2O2
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name(2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
SMILESCc1ccc(F)c(C(=O)c2ccc3c(c2)COC3)c1F
InChIInChI=1S/C16H12F2O2/c1-9-2-5-13(17)14(15(9)18)16(19)10-3-4-11-7-20-8-12(11)6-10/h2-6H,7-8H2,1H3
InChIKeyAOYMDHNSIWKLDP-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone
CID 63731843
(2,3-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 55145593
1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone
CID 63021429
(2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone
CID 82819637
(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115794368
(3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 116548682
(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115794384
1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone
CID 63019871
(4-tert-butylphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82798017
1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone
CID 63021603
(3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone
CID 106943985
6-(2,6-difluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one
CID 82797081

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone (CID 82814438) is (2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone is Cc1ccc(F)c(C(=O)c2ccc3c(c2)COC3)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The InChIKey is AOYMDHNSIWKLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O2/c1-9-2-5-13(17)14(15(9)18)16(19)10-3-4-11-7-20-8-12(11)6-10/h2-6H,7-8H2,1H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
(2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone has a molecular weight of 274.27 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone is sourced from PubChem (CID 82814438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).