(5-bromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone

C14H13BrO2S — CID 63496583

IUPAC(5-bromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone
SMILESCCOc1ccc(C)cc1C(=O)c1ccc(Br)s1
InChIInChI=1S/C14H13BrO2S/c1-3-17-11-5-4-9(2)8-10(11)14(16)12-6-7-13(15)18-12/h4-8H,3H2,1-2H3
InChIKeyVDKIRBGYTPMDOC-UHFFFAOYSA-N
MW325.23 g/mol
LogP4.45
Rot. Bonds4

About (5-bromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone

(5-bromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone (PubChem CID 63496583) has the molecular formula C14H13BrO2S and a molecular weight of 325.23 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone
PubChem CID63496583
Molecular FormulaC14H13BrO2S
Molecular Weight325.23 g/mol
Exact Mass323.98
IUPAC Name(5-bromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone
SMILESCCOc1ccc(C)cc1C(=O)c1ccc(Br)s1
InChIInChI=1S/C14H13BrO2S/c1-3-17-11-5-4-9(2)8-10(11)14(16)12-6-7-13(15)18-12/h4-8H,3H2,1-2H3
InChIKeyVDKIRBGYTPMDOC-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone
CID 80536132
(2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 81110926
(5-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514263
(2,5-dimethylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496404
(5-chlorofuran-2-yl)-(2-ethoxy-5-methylphenyl)methanone
CID 106683820
1-(5-bromothiophen-2-yl)-2-(2,4-dimethylphenoxy)ethanone
CID 43411918
(5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone
CID 82051969
(3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 107096172
(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 104656758
3-bromo-4-(2-ethoxy-5-methylphenyl)-4-oxobutanoic acid
CID 79785893
5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide
CID 31728509
(2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone
CID 115000096

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone (CID 63496583) is (5-bromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone is CCOc1ccc(C)cc1C(=O)c1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone?
The InChIKey is VDKIRBGYTPMDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2S/c1-3-17-11-5-4-9(2)8-10(11)14(16)12-6-7-13(15)18-12/h4-8H,3H2,1-2H3.
What are the key properties of (5-bromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone?
(5-bromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone has a molecular weight of 325.23 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone is sourced from PubChem (CID 63496583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).