(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanone

C16H17BrO2 — CID 106851230

IUPAC(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCc1c(C)c(C)c(C(=O)c2ccoc2Br)c(C)c1C
InChIInChI=1S/C16H17BrO2/c1-8-9(2)11(4)14(12(5)10(8)3)15(18)13-6-7-19-16(13)17/h6-7H,1-5H3
InChIKeyHZRRUYKEMGUAQH-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.82
Rot. Bonds2

About (2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanone

(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanone (PubChem CID 106851230) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanone
PubChem CID106851230
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCc1c(C)c(C)c(C(=O)c2ccoc2Br)c(C)c1C
InChIInChI=1S/C16H17BrO2/c1-8-9(2)11(4)14(12(5)10(8)3)15(18)13-6-7-19-16(13)17/h6-7H,1-5H3
InChIKeyHZRRUYKEMGUAQH-UHFFFAOYSA-N
XLogP4.82
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromofuran-3-yl)-(2,4,6-triethylphenyl)methanone
CID 106851399
5-(2-bromofuran-3-carbonyl)furan-2-carboxylic acid
CID 106946933
(2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 106856818
(2-bromofuran-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 106856635
1-(2-bromofuran-3-yl)-3-methylbutan-1-one
CID 106856556
(2-bromofuran-3-yl)-(4-butylphenyl)methanone
CID 106851240
(2-bromofuran-3-yl)-(3-ethylphenyl)methanone
CID 106856734
(2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 106851415
2-bromo-N-(3-methylphenyl)furan-3-carboxamide
CID 106852319
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromofuran-3-yl)methanone
CID 106851427
2-bromo-N-cyano-N-methylfuran-3-carboxamide
CID 130615092
(2-bromofuran-3-yl)-cyclopentylmethanone
CID 106856555

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The IUPAC name of (2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanone (CID 106851230) is (2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The canonical SMILES for (2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanone is Cc1c(C)c(C)c(C(=O)c2ccoc2Br)c(C)c1C.
What is the InChIKey of (2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The InChIKey is HZRRUYKEMGUAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-8-9(2)11(4)14(12(5)10(8)3)15(18)13-6-7-19-16(13)17/h6-7H,1-5H3.
What are the key properties of (2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanone?
(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanone has a molecular weight of 321.21 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanone is sourced from PubChem (CID 106851230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).