3-[4-[(3-methoxyphenyl)methoxy]phenyl]sulfanylthiophene-2-carbaldehyde

C19H16O3S2 — CID 170192364

IUPAC3-[4-[(3-methoxyphenyl)methoxy]phenyl]sulfanylthiophene-2-carbaldehyde
SMILESCOc1cccc(COc2ccc(Sc3ccsc3C=O)cc2)c1
InChIInChI=1S/C19H16O3S2/c1-21-16-4-2-3-14(11-16)13-22-15-5-7-17(8-6-15)24-18-9-10-23-19(18)12-20/h2-12H,13H2,1H3
InChIKeyBXZBMWLGLAPUSR-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.30
Rot. Bonds7

About 3-[4-[(3-methoxyphenyl)methoxy]phenyl]sulfanylthiophene-2-carbaldehyde

3-[4-[(3-methoxyphenyl)methoxy]phenyl]sulfanylthiophene-2-carbaldehyde (PubChem CID 170192364) has the molecular formula C19H16O3S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[4-[(3-methoxyphenyl)methoxy]phenyl]sulfanylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-[4-[(3-methoxyphenyl)methoxy]phenyl]sulfanylthiophene-2-carbaldehyde
PubChem CID170192364
Molecular FormulaC19H16O3S2
Molecular Weight356.47 g/mol
Exact Mass356.05
IUPAC Name3-[4-[(3-methoxyphenyl)methoxy]phenyl]sulfanylthiophene-2-carbaldehyde
SMILESCOc1cccc(COc2ccc(Sc3ccsc3C=O)cc2)c1
InChIInChI=1S/C19H16O3S2/c1-21-16-4-2-3-14(11-16)13-22-15-5-7-17(8-6-15)24-18-9-10-23-19(18)12-20/h2-12H,13H2,1H3
InChIKeyBXZBMWLGLAPUSR-UHFFFAOYSA-N
XLogP5.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-4-[(3-methoxyphenyl)methoxy]benzene
CID 142732471
4-[(3-methoxyphenyl)methoxy]-N-methylaniline
CID 39205064
3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanylpyridine-4-carbaldehyde
CID 160733883
2-[4-[(3-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane
CID 19989635
6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80631360
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
CID 19038438
2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol
CID 110185097
N-ethyl-1-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 43284865
4-[(3-pentan-3-yloxyphenyl)methoxy]benzaldehyde
CID 87614650
methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride
CID 68667398
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-methoxyphenyl)methoxy]phenyl]sulfanylthiophene-2-carbaldehyde?
The IUPAC name of 3-[4-[(3-methoxyphenyl)methoxy]phenyl]sulfanylthiophene-2-carbaldehyde (CID 170192364) is 3-[4-[(3-methoxyphenyl)methoxy]phenyl]sulfanylthiophene-2-carbaldehyde.
What is the SMILES notation for 3-[4-[(3-methoxyphenyl)methoxy]phenyl]sulfanylthiophene-2-carbaldehyde?
The canonical SMILES for 3-[4-[(3-methoxyphenyl)methoxy]phenyl]sulfanylthiophene-2-carbaldehyde is COc1cccc(COc2ccc(Sc3ccsc3C=O)cc2)c1.
What is the InChIKey of 3-[4-[(3-methoxyphenyl)methoxy]phenyl]sulfanylthiophene-2-carbaldehyde?
The InChIKey is BXZBMWLGLAPUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3S2/c1-21-16-4-2-3-14(11-16)13-22-15-5-7-17(8-6-15)24-18-9-10-23-19(18)12-20/h2-12H,13H2,1H3.
What are the key properties of 3-[4-[(3-methoxyphenyl)methoxy]phenyl]sulfanylthiophene-2-carbaldehyde?
3-[4-[(3-methoxyphenyl)methoxy]phenyl]sulfanylthiophene-2-carbaldehyde has a molecular weight of 356.47 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-methoxyphenyl)methoxy]phenyl]sulfanylthiophene-2-carbaldehyde is sourced from PubChem (CID 170192364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).