(2-bromofuran-3-yl)-(4-butylphenyl)methanone

C15H15BrO2 — CID 106851240

IUPAC(2-bromofuran-3-yl)-(4-butylphenyl)methanone
SMILESCCCCc1ccc(C(=O)c2ccoc2Br)cc1
InChIInChI=1S/C15H15BrO2/c1-2-3-4-11-5-7-12(8-6-11)14(17)13-9-10-18-15(13)16/h5-10H,2-4H2,1H3
InChIKeyASTFAGDNQFETQO-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.62
Rot. Bonds5

About (2-bromofuran-3-yl)-(4-butylphenyl)methanone

(2-bromofuran-3-yl)-(4-butylphenyl)methanone (PubChem CID 106851240) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(4-butylphenyl)methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(4-butylphenyl)methanone
PubChem CID106851240
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name(2-bromofuran-3-yl)-(4-butylphenyl)methanone
SMILESCCCCc1ccc(C(=O)c2ccoc2Br)cc1
InChIInChI=1S/C15H15BrO2/c1-2-3-4-11-5-7-12(8-6-11)14(17)13-9-10-18-15(13)16/h5-10H,2-4H2,1H3
InChIKeyASTFAGDNQFETQO-UHFFFAOYSA-N
XLogP4.62
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-butylphenyl)-(4-hydroxyphenyl)methanone
CID 22132679
(5-amino-2,4-dimethylphenyl)-(4-butylphenyl)methanone
CID 102706964
(4-bromo-2-methoxyphenyl)-(4-butylphenyl)methanone
CID 115368728
(2-bromofuran-3-yl)-(2,4,6-triethylphenyl)methanone
CID 106851399
CID 69445910
CID 69445910
4-butylbenzoic acid;zinc
CID 175174767
4-pentylbenzoyl bromide
CID 87349955
(4-butylphenyl)-(2,6-dichlorophenyl)methanone
CID 43160097
(4-amino-3-fluorophenyl)-(2-bromofuran-3-yl)methanone
CID 106856260
1-(4-butylphenyl)-2-hydroxyethanone
CID 95436919
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
CID 101297352
CID 101297352

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(4-butylphenyl)methanone?
The IUPAC name of (2-bromofuran-3-yl)-(4-butylphenyl)methanone (CID 106851240) is (2-bromofuran-3-yl)-(4-butylphenyl)methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-(4-butylphenyl)methanone?
The canonical SMILES for (2-bromofuran-3-yl)-(4-butylphenyl)methanone is CCCCc1ccc(C(=O)c2ccoc2Br)cc1.
What is the InChIKey of (2-bromofuran-3-yl)-(4-butylphenyl)methanone?
The InChIKey is ASTFAGDNQFETQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-2-3-4-11-5-7-12(8-6-11)14(17)13-9-10-18-15(13)16/h5-10H,2-4H2,1H3.
What are the key properties of (2-bromofuran-3-yl)-(4-butylphenyl)methanone?
(2-bromofuran-3-yl)-(4-butylphenyl)methanone has a molecular weight of 307.19 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(4-butylphenyl)methanone is sourced from PubChem (CID 106851240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).