methyl 6-[5-(4-methoxyphenyl)thiophen-2-yl]naphthalene-2-carboxylate

C23H18O3S — CID 69360767

IUPACmethyl 6-[5-(4-methoxyphenyl)thiophen-2-yl]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(-c3ccc(-c4ccc(OC)cc4)s3)ccc2c1
InChIInChI=1S/C23H18O3S/c1-25-20-9-7-15(8-10-20)21-11-12-22(27-21)18-5-3-17-14-19(23(24)26-2)6-4-16(17)13-18/h3-14H,1-2H3
InChIKeyMYQHRDCFFCAENQ-UHFFFAOYSA-N
MW374.46 g/mol
LogP6.03
Rot. Bonds4

About methyl 6-[5-(4-methoxyphenyl)thiophen-2-yl]naphthalene-2-carboxylate

methyl 6-[5-(4-methoxyphenyl)thiophen-2-yl]naphthalene-2-carboxylate (PubChem CID 69360767) has the molecular formula C23H18O3S and a molecular weight of 374.46 g/mol. Its IUPAC name is methyl 6-[5-(4-methoxyphenyl)thiophen-2-yl]naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[5-(4-methoxyphenyl)thiophen-2-yl]naphthalene-2-carboxylate
PubChem CID69360767
Molecular FormulaC23H18O3S
Molecular Weight374.46 g/mol
Exact Mass374.10
IUPAC Namemethyl 6-[5-(4-methoxyphenyl)thiophen-2-yl]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(-c3ccc(-c4ccc(OC)cc4)s3)ccc2c1
InChIInChI=1S/C23H18O3S/c1-25-20-9-7-15(8-10-20)21-11-12-22(27-21)18-5-3-17-14-19(23(24)26-2)6-4-16(17)13-18/h3-14H,1-2H3
InChIKeyMYQHRDCFFCAENQ-UHFFFAOYSA-N
XLogP6.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.46
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]thiophene
CID 102235498
2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
methyl 6-(3,4-dihydroxyphenyl)naphthalene-2-carboxylate
CID 122191871
2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene
CID 132513911
methyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate
CID 142601231
N-hydroxy-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 58657217
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
methyl 4-[5-(hydroxymethyl)thiophen-2-yl]benzoate
CID 66742298
methyl 3-methoxyisoquinoline-7-carboxylate
CID 126676671
methyl 4-(5-trimethylsilylthiophen-2-yl)benzoate
CID 46180144

Frequently Asked Questions

What is the IUPAC name of methyl 6-[5-(4-methoxyphenyl)thiophen-2-yl]naphthalene-2-carboxylate?
The IUPAC name of methyl 6-[5-(4-methoxyphenyl)thiophen-2-yl]naphthalene-2-carboxylate (CID 69360767) is methyl 6-[5-(4-methoxyphenyl)thiophen-2-yl]naphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-[5-(4-methoxyphenyl)thiophen-2-yl]naphthalene-2-carboxylate?
The canonical SMILES for methyl 6-[5-(4-methoxyphenyl)thiophen-2-yl]naphthalene-2-carboxylate is COC(=O)c1ccc2cc(-c3ccc(-c4ccc(OC)cc4)s3)ccc2c1.
What is the InChIKey of methyl 6-[5-(4-methoxyphenyl)thiophen-2-yl]naphthalene-2-carboxylate?
The InChIKey is MYQHRDCFFCAENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O3S/c1-25-20-9-7-15(8-10-20)21-11-12-22(27-21)18-5-3-17-14-19(23(24)26-2)6-4-16(17)13-18/h3-14H,1-2H3.
What are the key properties of methyl 6-[5-(4-methoxyphenyl)thiophen-2-yl]naphthalene-2-carboxylate?
methyl 6-[5-(4-methoxyphenyl)thiophen-2-yl]naphthalene-2-carboxylate has a molecular weight of 374.46 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[5-(4-methoxyphenyl)thiophen-2-yl]naphthalene-2-carboxylate is sourced from PubChem (CID 69360767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).