(2,4-dibromophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone

C17H14Br2O2 — CID 107949853

IUPAC(2,4-dibromophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
SMILESCC1(C)Cc2cc(C(=O)c3ccc(Br)cc3Br)ccc2O1
InChIInChI=1S/C17H14Br2O2/c1-17(2)9-11-7-10(3-6-15(11)21-17)16(20)13-5-4-12(18)8-14(13)19/h3-8H,9H2,1-2H3
InChIKeyOXJYILQTVFEOTQ-UHFFFAOYSA-N
MW410.11 g/mol
LogP5.16
Rot. Bonds2

About (2,4-dibromophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone

(2,4-dibromophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone (PubChem CID 107949853) has the molecular formula C17H14Br2O2 and a molecular weight of 410.11 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
PubChem CID107949853
Molecular FormulaC17H14Br2O2
Molecular Weight410.11 g/mol
Exact Mass407.94
IUPAC Name(2,4-dibromophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
SMILESCC1(C)Cc2cc(C(=O)c3ccc(Br)cc3Br)ccc2O1
InChIInChI=1S/C17H14Br2O2/c1-17(2)9-11-7-10(3-6-15(11)21-17)16(20)13-5-4-12(18)8-14(13)19/h3-8H,9H2,1-2H3
InChIKeyOXJYILQTVFEOTQ-UHFFFAOYSA-N
XLogP5.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.11
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-chlorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
CID 63496051
(2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 107944745
(5-bromothiophen-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
CID 107960010
(3,5-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
CID 62325416
(2-chloro-3-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
CID 81454812
methyl 2,2-dimethyl-3H-1-benzofuran-5-carboxylate
CID 15284749
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,2-trifluoroethanone
CID 81429341
(5-chlorothiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
CID 63496229
6-(2,4-dibromobenzoyl)-4H-1,4-benzoxazin-3-one
CID 107949715
(4-aminophenyl)-(2,4-dibromophenyl)methanone
CID 107957044
3-amino-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-one
CID 117312423
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 62325780

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone?
The IUPAC name of (2,4-dibromophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone (CID 107949853) is (2,4-dibromophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone.
What is the SMILES notation for (2,4-dibromophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone?
The canonical SMILES for (2,4-dibromophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone is CC1(C)Cc2cc(C(=O)c3ccc(Br)cc3Br)ccc2O1.
What is the InChIKey of (2,4-dibromophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone?
The InChIKey is OXJYILQTVFEOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br2O2/c1-17(2)9-11-7-10(3-6-15(11)21-17)16(20)13-5-4-12(18)8-14(13)19/h3-8H,9H2,1-2H3.
What are the key properties of (2,4-dibromophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone?
(2,4-dibromophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone has a molecular weight of 410.11 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 107949853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).