2-methoxy-3-thiophen-2-ylbenzaldehyde

C12H10O2S — CID 172649789

IUPAC2-methoxy-3-thiophen-2-ylbenzaldehyde
SMILESCOc1c(C=O)cccc1-c1cccs1
InChIInChI=1S/C12H10O2S/c1-14-12-9(8-13)4-2-5-10(12)11-6-3-7-15-11/h2-8H,1H3
InChIKeyXLFGNCZOECFLBA-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.24
Rot. Bonds3

About 2-methoxy-3-thiophen-2-ylbenzaldehyde

2-methoxy-3-thiophen-2-ylbenzaldehyde (PubChem CID 172649789) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-methoxy-3-thiophen-2-ylbenzaldehyde.

Molecular Properties

Compound Name2-methoxy-3-thiophen-2-ylbenzaldehyde
PubChem CID172649789
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name2-methoxy-3-thiophen-2-ylbenzaldehyde
SMILESCOc1c(C=O)cccc1-c1cccs1
InChIInChI=1S/C12H10O2S/c1-14-12-9(8-13)4-2-5-10(12)11-6-3-7-15-11/h2-8H,1H3
InChIKeyXLFGNCZOECFLBA-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluoro-2-methoxyphenyl)thiophene
CID 91195833
2-hydroxy-3-thiophen-2-ylbenzaldehyde
CID 53220277
2-methoxy-3-naphthalen-1-ylbenzaldehyde
CID 10879893
5-hydroxy-4-methoxy-2-thiophen-2-ylbenzaldehyde
CID 16768819
2-methoxy-3-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 141271673
2-(7-methoxynaphthalen-1-yl)thiophene
CID 57250783
4-methoxy-1-benzothiophene-5-carbaldehyde
CID 18542549
2-(2,6-dichlorophenyl)-2-(2,6-dimethoxy-3-thiophen-2-ylphenyl)acetaldehyde
CID 87941334
5-[3-(3,4-dimethoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]-2,3-dimethoxybenzaldehyde
CID 72523989
5-[(E)-3-(3,4-dimethoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]-2,3-dimethoxybenzaldehyde
CID 59125674
(2-dimethylphosphanyl-3-methoxy-4-thiophen-2-ylphenyl)-dimethylphosphane
CID 175960662
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-thiophen-2-ylbenzaldehyde?
The IUPAC name of 2-methoxy-3-thiophen-2-ylbenzaldehyde (CID 172649789) is 2-methoxy-3-thiophen-2-ylbenzaldehyde.
What is the SMILES notation for 2-methoxy-3-thiophen-2-ylbenzaldehyde?
The canonical SMILES for 2-methoxy-3-thiophen-2-ylbenzaldehyde is COc1c(C=O)cccc1-c1cccs1.
What is the InChIKey of 2-methoxy-3-thiophen-2-ylbenzaldehyde?
The InChIKey is XLFGNCZOECFLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c1-14-12-9(8-13)4-2-5-10(12)11-6-3-7-15-11/h2-8H,1H3.
What are the key properties of 2-methoxy-3-thiophen-2-ylbenzaldehyde?
2-methoxy-3-thiophen-2-ylbenzaldehyde has a molecular weight of 218.28 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-thiophen-2-ylbenzaldehyde is sourced from PubChem (CID 172649789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).