4-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)thiophene

C19H18O2S — CID 44543110

IUPAC4-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)thiophene
SMILESCOc1cccc(-c2cc(-c3ccc(OC)c(C)c3)cs2)c1
InChIInChI=1S/C19H18O2S/c1-13-9-14(7-8-18(13)21-3)16-11-19(22-12-16)15-5-4-6-17(10-15)20-2/h4-12H,1-3H3
InChIKeyDCPPSRNSKVRFRC-UHFFFAOYSA-N
MW310.42 g/mol
LogP5.41
Rot. Bonds4

About 4-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)thiophene

4-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)thiophene (PubChem CID 44543110) has the molecular formula C19H18O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)thiophene.

Molecular Properties

Compound Name4-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)thiophene
PubChem CID44543110
Molecular FormulaC19H18O2S
Molecular Weight310.42 g/mol
Exact Mass310.10
IUPAC Name4-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)thiophene
SMILESCOc1cccc(-c2cc(-c3ccc(OC)c(C)c3)cs2)c1
InChIInChI=1S/C19H18O2S/c1-13-9-14(7-8-18(13)21-3)16-11-19(22-12-16)15-5-4-6-17(10-15)20-2/h4-12H,1-3H3
InChIKeyDCPPSRNSKVRFRC-UHFFFAOYSA-N
XLogP5.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.42
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-methoxy-3-methylphenyl)phenyl]-(3-methoxyphenyl)methanone
CID 56970113
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
4-[3-(3-chloropropoxy)phenyl]-1-methoxy-2-methylbenzene
CID 39396728
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene
CID 159369138
formaldehyde;bis(1-methoxy-2-methyl-4-(3-methylphenyl)benzene)
CID 175275695
2-(3-methoxyphenyl)-5-(4-methoxy-3-phenylphenyl)thiophene
CID 44542351
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
2,5-bis(3-methoxyphenyl)-3-methylthiophene
CID 123497172
4-(2-methoxyphenyl)-2-phenylthiophene
CID 102031786
5-(3-methoxyphenyl)-2-methylphenol
CID 53218836

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)thiophene?
The IUPAC name of 4-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)thiophene (CID 44543110) is 4-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)thiophene.
What is the SMILES notation for 4-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)thiophene?
The canonical SMILES for 4-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)thiophene is COc1cccc(-c2cc(-c3ccc(OC)c(C)c3)cs2)c1.
What is the InChIKey of 4-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)thiophene?
The InChIKey is DCPPSRNSKVRFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2S/c1-13-9-14(7-8-18(13)21-3)16-11-19(22-12-16)15-5-4-6-17(10-15)20-2/h4-12H,1-3H3.
What are the key properties of 4-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)thiophene?
4-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)thiophene has a molecular weight of 310.42 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)thiophene is sourced from PubChem (CID 44543110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).