5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carbaldehyde

C16H12O2S2 — CID 90277509

IUPAC5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carbaldehyde
SMILESCOc1ccc(-c2ccc(-c3ccc(C=O)s3)s2)cc1
InChIInChI=1S/C16H12O2S2/c1-18-12-4-2-11(3-5-12)14-8-9-16(20-14)15-7-6-13(10-17)19-15/h2-10H,1H3
InChIKeyGKPSACHHYYXJPK-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.96
Rot. Bonds4

About 5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carbaldehyde

5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carbaldehyde (PubChem CID 90277509) has the molecular formula C16H12O2S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carbaldehyde
PubChem CID90277509
Molecular FormulaC16H12O2S2
Molecular Weight300.40 g/mol
Exact Mass300.03
IUPAC Name5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carbaldehyde
SMILESCOc1ccc(-c2ccc(-c3ccc(C=O)s3)s2)cc1
InChIInChI=1S/C16H12O2S2/c1-18-12-4-2-11(3-5-12)14-8-9-16(20-14)15-7-6-13(10-17)19-15/h2-10H,1H3
InChIKeyGKPSACHHYYXJPK-UHFFFAOYSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carbaldehyde (CID 90277509) is 5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carbaldehyde is COc1ccc(-c2ccc(-c3ccc(C=O)s3)s2)cc1.
What is the InChIKey of 5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carbaldehyde?
The InChIKey is GKPSACHHYYXJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2S2/c1-18-12-4-2-11(3-5-12)14-8-9-16(20-14)15-7-6-13(10-17)19-15/h2-10H,1H3.
What are the key properties of 5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carbaldehyde?
5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carbaldehyde has a molecular weight of 300.40 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 90277509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).