5-(3-chlorothiophen-2-yl)-2-methoxybenzaldehyde

C12H9ClO2S — CID 107360530

IUPAC5-(3-chlorothiophen-2-yl)-2-methoxybenzaldehyde
SMILESCOc1ccc(-c2sccc2Cl)cc1C=O
InChIInChI=1S/C12H9ClO2S/c1-15-11-3-2-8(6-9(11)7-14)12-10(13)4-5-16-12/h2-7H,1H3
InChIKeyVQHSYDSGIMAVCB-UHFFFAOYSA-N
MW252.72 g/mol
LogP3.89
Rot. Bonds3

About 5-(3-chlorothiophen-2-yl)-2-methoxybenzaldehyde

5-(3-chlorothiophen-2-yl)-2-methoxybenzaldehyde (PubChem CID 107360530) has the molecular formula C12H9ClO2S and a molecular weight of 252.72 g/mol. Its IUPAC name is 5-(3-chlorothiophen-2-yl)-2-methoxybenzaldehyde.

Molecular Properties

Compound Name5-(3-chlorothiophen-2-yl)-2-methoxybenzaldehyde
PubChem CID107360530
Molecular FormulaC12H9ClO2S
Molecular Weight252.72 g/mol
Exact Mass252.00
IUPAC Name5-(3-chlorothiophen-2-yl)-2-methoxybenzaldehyde
SMILESCOc1ccc(-c2sccc2Cl)cc1C=O
InChIInChI=1S/C12H9ClO2S/c1-15-11-3-2-8(6-9(11)7-14)12-10(13)4-5-16-12/h2-7H,1H3
InChIKeyVQHSYDSGIMAVCB-UHFFFAOYSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 53.89
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-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde
CID 172650125
2-methoxy-5-(2,3,4,6-tetrachlorophenyl)benzaldehyde
CID 105350008
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
2-methoxy-5-(thiadiazol-4-yl)benzaldehyde
CID 22620096
5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde
CID 54912342
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498
2-(3-chlorothiophen-2-yl)-4-methylbenzaldehyde
CID 107360550
5-(3-bromophenyl)-2-methoxybenzaldehyde
CID 115503832
2-ethoxy-5-thiophen-3-ylbenzaldehyde
CID 172650297
2-methoxy-5-(methylamino)benzaldehyde
CID 91654246
2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde
CID 63157778
5-(4-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 74891133

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorothiophen-2-yl)-2-methoxybenzaldehyde?
The IUPAC name of 5-(3-chlorothiophen-2-yl)-2-methoxybenzaldehyde (CID 107360530) is 5-(3-chlorothiophen-2-yl)-2-methoxybenzaldehyde.
What is the SMILES notation for 5-(3-chlorothiophen-2-yl)-2-methoxybenzaldehyde?
The canonical SMILES for 5-(3-chlorothiophen-2-yl)-2-methoxybenzaldehyde is COc1ccc(-c2sccc2Cl)cc1C=O.
What is the InChIKey of 5-(3-chlorothiophen-2-yl)-2-methoxybenzaldehyde?
The InChIKey is VQHSYDSGIMAVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2S/c1-15-11-3-2-8(6-9(11)7-14)12-10(13)4-5-16-12/h2-7H,1H3.
What are the key properties of 5-(3-chlorothiophen-2-yl)-2-methoxybenzaldehyde?
5-(3-chlorothiophen-2-yl)-2-methoxybenzaldehyde has a molecular weight of 252.72 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorothiophen-2-yl)-2-methoxybenzaldehyde is sourced from PubChem (CID 107360530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).