(4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methanone

C14H13BrO2S — CID 113295986

IUPAC(4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)c2ccc(Br)cc2OC)s1
InChIInChI=1S/C14H13BrO2S/c1-3-10-5-7-13(18-10)14(16)11-6-4-9(15)8-12(11)17-2/h4-8H,3H2,1-2H3
InChIKeyVPZABRPEZVBCBY-UHFFFAOYSA-N
MW325.23 g/mol
LogP4.31
Rot. Bonds4

About (4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methanone

(4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methanone (PubChem CID 113295986) has the molecular formula C14H13BrO2S and a molecular weight of 325.23 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methanone
PubChem CID113295986
Molecular FormulaC14H13BrO2S
Molecular Weight325.23 g/mol
Exact Mass323.98
IUPAC Name(4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)c2ccc(Br)cc2OC)s1
InChIInChI=1S/C14H13BrO2S/c1-3-10-5-7-13(18-10)14(16)11-6-4-9(15)8-12(11)17-2/h4-8H,3H2,1-2H3
InChIKeyVPZABRPEZVBCBY-UHFFFAOYSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methanone
CID 43160962
1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 115369376
(4-bromo-2-methoxyphenyl)-thiophen-3-ylmethanone
CID 114975240
[2-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone
CID 43338849
(4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 115368721
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797925
1-(4-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974372
(4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115810045
(4-bromo-2-methoxyphenyl)-(4-butylphenyl)methanone
CID 115368728
(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 115368770
methyl 2-[5-(2-bromo-4-methylbenzoyl)thiophen-2-yl]acetate
CID 82894244
(2-amino-4-bromophenyl)-(2,4-dimethoxyphenyl)methanone
CID 116591704

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methanone?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methanone (CID 113295986) is (4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methanone.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methanone?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methanone is CCc1ccc(C(=O)c2ccc(Br)cc2OC)s1.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methanone?
The InChIKey is VPZABRPEZVBCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2S/c1-3-10-5-7-13(18-10)14(16)11-6-4-9(15)8-12(11)17-2/h4-8H,3H2,1-2H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methanone?
(4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methanone has a molecular weight of 325.23 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 113295986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).