(3-bromofuran-2-yl)-(2-methoxyphenyl)methanone

C12H9BrO3 — CID 63942621

IUPAC(3-bromofuran-2-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1occc1Br
InChIInChI=1S/C12H9BrO3/c1-15-10-5-3-2-4-8(10)11(14)12-9(13)6-7-16-12/h2-7H,1H3
InChIKeyXHYPIOXISOACLE-UHFFFAOYSA-N
MW281.11 g/mol
LogP3.28
Rot. Bonds3

About (3-bromofuran-2-yl)-(2-methoxyphenyl)methanone

(3-bromofuran-2-yl)-(2-methoxyphenyl)methanone (PubChem CID 63942621) has the molecular formula C12H9BrO3 and a molecular weight of 281.11 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(2-methoxyphenyl)methanone
PubChem CID63942621
Molecular FormulaC12H9BrO3
Molecular Weight281.11 g/mol
Exact Mass279.97
IUPAC Name(3-bromofuran-2-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1occc1Br
InChIInChI=1S/C12H9BrO3/c1-15-10-5-3-2-4-8(10)11(14)12-9(13)6-7-16-12/h2-7H,1H3
InChIKeyXHYPIOXISOACLE-UHFFFAOYSA-N
XLogP3.28
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(3-bromofuran-2-yl)-(2-chlorophenyl)methanone
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(3-bromofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
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(2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone
CID 43463104
(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 105079993
(3,4-dibromothiophen-2-yl)-(2-methoxyphenyl)methanone
CID 79602326
(2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880611
(4,5-dibromo-1H-pyrrol-2-yl)-(2-methoxyphenyl)methanone
CID 121001131
(3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 104799403
2-methoxybenzoate;hydrochloride
CID 18793456
(2-hydroxy-3-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 67681144
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (3-bromofuran-2-yl)-(2-methoxyphenyl)methanone (CID 63942621) is (3-bromofuran-2-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (3-bromofuran-2-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-(2-methoxyphenyl)methanone?
The InChIKey is XHYPIOXISOACLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO3/c1-15-10-5-3-2-4-8(10)11(14)12-9(13)6-7-16-12/h2-7H,1H3.
What are the key properties of (3-bromofuran-2-yl)-(2-methoxyphenyl)methanone?
(3-bromofuran-2-yl)-(2-methoxyphenyl)methanone has a molecular weight of 281.11 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 63942621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).