3-(ethoxymethoxy)-4-phenylthiophene

C13H14O2S — CID 172627115

IUPAC3-(ethoxymethoxy)-4-phenylthiophene
SMILESCCOCOc1cscc1-c1ccccc1
InChIInChI=1S/C13H14O2S/c1-2-14-10-15-13-9-16-8-12(13)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyBULIUTWNSTWADX-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.79
Rot. Bonds5

About 3-(ethoxymethoxy)-4-phenylthiophene

3-(ethoxymethoxy)-4-phenylthiophene (PubChem CID 172627115) has the molecular formula C13H14O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-(ethoxymethoxy)-4-phenylthiophene.

Molecular Properties

Compound Name3-(ethoxymethoxy)-4-phenylthiophene
PubChem CID172627115
Molecular FormulaC13H14O2S
Molecular Weight234.32 g/mol
Exact Mass234.07
IUPAC Name3-(ethoxymethoxy)-4-phenylthiophene
SMILESCCOCOc1cscc1-c1ccccc1
InChIInChI=1S/C13H14O2S/c1-2-14-10-15-13-9-16-8-12(13)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyBULIUTWNSTWADX-UHFFFAOYSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(ethoxymethoxy)-4-[2-[4-[2-[4-(ethoxymethoxy)thiophen-3-yl]phenoxy]butoxy]phenyl]thiophene
CID 146605301
3-phenyl-4-propoxythiophene
CID 57117902
2-bromo-3-(ethoxymethoxy)-4-(2-methoxyphenyl)thiophene;3-(ethoxymethoxy)-4-(2-methoxyphenyl)thiophene
CID 158842081
1-(ethoxymethoxy)-4-phenylbenzene
CID 146557132
1,1'-biphenyl;ethanol;ethoxyethane
CID 70401504
1,2,3,4-tetrakis(ethoxymethyl)-5-phenylbenzene
CID 139792807
1,1'-biphenyl;ethene;ethoxyethane
CID 155168221
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
[2-(ethoxymethoxy)naphthalen-1-yl]methanamine
CID 65369670
ethoxybenzene;ethoxyethane
CID 67764259
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
1,2-bis(methoxymethoxy)-3-phenylbenzene
CID 11000249

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethoxy)-4-phenylthiophene?
The IUPAC name of 3-(ethoxymethoxy)-4-phenylthiophene (CID 172627115) is 3-(ethoxymethoxy)-4-phenylthiophene.
What is the SMILES notation for 3-(ethoxymethoxy)-4-phenylthiophene?
The canonical SMILES for 3-(ethoxymethoxy)-4-phenylthiophene is CCOCOc1cscc1-c1ccccc1.
What is the InChIKey of 3-(ethoxymethoxy)-4-phenylthiophene?
The InChIKey is BULIUTWNSTWADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2S/c1-2-14-10-15-13-9-16-8-12(13)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3.
What are the key properties of 3-(ethoxymethoxy)-4-phenylthiophene?
3-(ethoxymethoxy)-4-phenylthiophene has a molecular weight of 234.32 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethoxy)-4-phenylthiophene is sourced from PubChem (CID 172627115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).