(3-chloro-4-methylthiophen-2-yl)-(2-ethoxyphenyl)methanone

C14H13ClO2S — CID 103407639

IUPAC(3-chloro-4-methylthiophen-2-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)c1scc(C)c1Cl
InChIInChI=1S/C14H13ClO2S/c1-3-17-11-7-5-4-6-10(11)13(16)14-12(15)9(2)8-18-14/h4-8H,3H2,1-2H3
InChIKeyDBMKSOJLQCDSNM-UHFFFAOYSA-N
MW280.78 g/mol
LogP4.34
Rot. Bonds4

About (3-chloro-4-methylthiophen-2-yl)-(2-ethoxyphenyl)methanone

(3-chloro-4-methylthiophen-2-yl)-(2-ethoxyphenyl)methanone (PubChem CID 103407639) has the molecular formula C14H13ClO2S and a molecular weight of 280.78 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(2-ethoxyphenyl)methanone
PubChem CID103407639
Molecular FormulaC14H13ClO2S
Molecular Weight280.78 g/mol
Exact Mass280.03
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)c1scc(C)c1Cl
InChIInChI=1S/C14H13ClO2S/c1-3-17-11-7-5-4-6-10(11)13(16)14-12(15)9(2)8-18-14/h4-8H,3H2,1-2H3
InChIKeyDBMKSOJLQCDSNM-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone
CID 43344791
[2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate
CID 174463979
(2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone
CID 81467462
1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethanone
CID 103407790
2-ethoxybenzoic acid;zinc
CID 172723273
2-ethoxybenzoyl bromide
CID 19426336
2-ethoxybenzenecarboperoxoic acid
CID 22314606
(2-ethoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103433024
(5-chloro-2-methoxyphenyl)-(2-ethoxyphenyl)methanone
CID 79020316
(2-ethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanone
CID 105097627
(2-ethoxyphenyl)-(1H-imidazol-2-yl)methanone
CID 112731515
(2-amino-4-methyl-3-pyridinyl)-(2-ethoxyphenyl)methanone
CID 113330341

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(2-ethoxyphenyl)methanone?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(2-ethoxyphenyl)methanone (CID 103407639) is (3-chloro-4-methylthiophen-2-yl)-(2-ethoxyphenyl)methanone.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(2-ethoxyphenyl)methanone?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)c1scc(C)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(2-ethoxyphenyl)methanone?
The InChIKey is DBMKSOJLQCDSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S/c1-3-17-11-7-5-4-6-10(11)13(16)14-12(15)9(2)8-18-14/h4-8H,3H2,1-2H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(2-ethoxyphenyl)methanone?
(3-chloro-4-methylthiophen-2-yl)-(2-ethoxyphenyl)methanone has a molecular weight of 280.78 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 103407639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).