5-benzhydrylthiophene-2-carboxylic acid

C18H14O2S — CID 59775040

IUPAC5-benzhydrylthiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C18H14O2S/c19-18(20)16-12-11-15(21-16)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H,(H,19,20)
InChIKeyMIWOKPVPMSCJJF-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.63
Rot. Bonds4

About 5-benzhydrylthiophene-2-carboxylic acid

5-benzhydrylthiophene-2-carboxylic acid (PubChem CID 59775040) has the molecular formula C18H14O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-benzhydrylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-benzhydrylthiophene-2-carboxylic acid
PubChem CID59775040
Molecular FormulaC18H14O2S
Molecular Weight294.38 g/mol
Exact Mass294.07
IUPAC Name5-benzhydrylthiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C18H14O2S/c19-18(20)16-12-11-15(21-16)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H,(H,19,20)
InChIKeyMIWOKPVPMSCJJF-UHFFFAOYSA-N
XLogP4.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzhydrylthiophene-2-carboxylic acid?
The IUPAC name of 5-benzhydrylthiophene-2-carboxylic acid (CID 59775040) is 5-benzhydrylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-benzhydrylthiophene-2-carboxylic acid?
The canonical SMILES for 5-benzhydrylthiophene-2-carboxylic acid is O=C(O)c1ccc(C(c2ccccc2)c2ccccc2)s1.
What is the InChIKey of 5-benzhydrylthiophene-2-carboxylic acid?
The InChIKey is MIWOKPVPMSCJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2S/c19-18(20)16-12-11-15(21-16)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H,(H,19,20).
What are the key properties of 5-benzhydrylthiophene-2-carboxylic acid?
5-benzhydrylthiophene-2-carboxylic acid has a molecular weight of 294.38 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydrylthiophene-2-carboxylic acid is sourced from PubChem (CID 59775040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).