1-[5-[3-(methoxymethyl)phenyl]thiophen-2-yl]ethanone

C14H14O2S — CID 54965439

IUPAC1-[5-[3-(methoxymethyl)phenyl]thiophen-2-yl]ethanone
SMILESCOCc1cccc(-c2ccc(C(C)=O)s2)c1
InChIInChI=1S/C14H14O2S/c1-10(15)13-6-7-14(17-13)12-5-3-4-11(8-12)9-16-2/h3-8H,9H2,1-2H3
InChIKeyRFWTWFYDGVZLFF-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.76
Rot. Bonds4

About 1-[5-[3-(methoxymethyl)phenyl]thiophen-2-yl]ethanone

1-[5-[3-(methoxymethyl)phenyl]thiophen-2-yl]ethanone (PubChem CID 54965439) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-[5-[3-(methoxymethyl)phenyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[3-(methoxymethyl)phenyl]thiophen-2-yl]ethanone
PubChem CID54965439
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name1-[5-[3-(methoxymethyl)phenyl]thiophen-2-yl]ethanone
SMILESCOCc1cccc(-c2ccc(C(C)=O)s2)c1
InChIInChI=1S/C14H14O2S/c1-10(15)13-6-7-14(17-13)12-5-3-4-11(8-12)9-16-2/h3-8H,9H2,1-2H3
InChIKeyRFWTWFYDGVZLFF-UHFFFAOYSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-[3-(methoxymethyl)phenyl]thiophen-2-yl]ethanone 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

1-[5-[3-[amino(hydroxy)methyl]phenyl]thiophen-2-yl]ethanone
CID 82541874
1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone
CID 13401836
1-[5-[3-[4-[(2-fluorophenyl)methoxy]phenyl]phenyl]thiophen-2-yl]ethanone
CID 123821866
2-bromo-5-[3-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510244
1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone
CID 54297695
1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone
CID 62813066
1-[5-[3-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]phenyl]thiophen-2-yl]ethanone
CID 29211216
1-[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]ethanone
CID 81259902
1-[5-(3-bromo-4-fluorophenyl)thiophen-2-yl]ethanone
CID 104780316
methyl 4-[[3-(5-acetylthiophen-2-yl)phenyl]sulfanylamino]-2-hydroxybenzoate
CID 130370217
N-[[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]methyl]methanesulfonamide
CID 56928978
methyl 2-[3-(methoxymethyl)phenyl]acetate
CID 131730198

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(methoxymethyl)phenyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[3-(methoxymethyl)phenyl]thiophen-2-yl]ethanone (CID 54965439) is 1-[5-[3-(methoxymethyl)phenyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[3-(methoxymethyl)phenyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[3-(methoxymethyl)phenyl]thiophen-2-yl]ethanone is COCc1cccc(-c2ccc(C(C)=O)s2)c1.
What is the InChIKey of 1-[5-[3-(methoxymethyl)phenyl]thiophen-2-yl]ethanone?
The InChIKey is RFWTWFYDGVZLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-10(15)13-6-7-14(17-13)12-5-3-4-11(8-12)9-16-2/h3-8H,9H2,1-2H3.
What are the key properties of 1-[5-[3-(methoxymethyl)phenyl]thiophen-2-yl]ethanone?
1-[5-[3-(methoxymethyl)phenyl]thiophen-2-yl]ethanone has a molecular weight of 246.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(methoxymethyl)phenyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 54965439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).