4-[1-(2-naphthalen-1-ylethenyl)thiophen-1-yl]butanoic acid

C20H20O2S — CID 70421185

IUPAC4-[1-(2-naphthalen-1-ylethenyl)thiophen-1-yl]butanoic acid
SMILESO=C(O)CCCS1(C=Cc2cccc3ccccc23)C=CC=C1
InChIInChI=1S/C20H20O2S/c21-20(22)11-6-15-23(13-3-4-14-23)16-12-18-9-5-8-17-7-1-2-10-19(17)18/h1-5,7-10,12-14,16H,6,11,15H2,(H,21,22)
InChIKeyIURMBHXJEIQHMV-UHFFFAOYSA-N
MW324.44 g/mol
LogP5.52
Rot. Bonds6

About 4-[1-(2-naphthalen-1-ylethenyl)thiophen-1-yl]butanoic acid

4-[1-(2-naphthalen-1-ylethenyl)thiophen-1-yl]butanoic acid (PubChem CID 70421185) has the molecular formula C20H20O2S and a molecular weight of 324.44 g/mol. Its IUPAC name is 4-[1-(2-naphthalen-1-ylethenyl)thiophen-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[1-(2-naphthalen-1-ylethenyl)thiophen-1-yl]butanoic acid
PubChem CID70421185
Molecular FormulaC20H20O2S
Molecular Weight324.44 g/mol
Exact Mass324.12
IUPAC Name4-[1-(2-naphthalen-1-ylethenyl)thiophen-1-yl]butanoic acid
SMILESO=C(O)CCCS1(C=Cc2cccc3ccccc23)C=CC=C1
InChIInChI=1S/C20H20O2S/c21-20(22)11-6-15-23(13-3-4-14-23)16-12-18-9-5-8-17-7-1-2-10-19(17)18/h1-5,7-10,12-14,16H,6,11,15H2,(H,21,22)
InChIKeyIURMBHXJEIQHMV-UHFFFAOYSA-N
XLogP5.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.44
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 5357572
acetic acid;ethane;bis(1-ethenylnaphthalene)
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2-(naphthalen-1-ylmethylideneamino)oxyacetic acid
CID 78953890
1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 139835020
2-naphthalen-1-ylethenamine
CID 69243468
1-(2-bromoethenyl)naphthalene
CID 71403351
1-[2-[2-(2-phenylethenyl)phenyl]ethenyl]naphthalene
CID 71399192
2-[4-(2-naphthalen-1-ylethenyl)pyridin-1-ium-1-yl]acetic acid bromide
CID 20981637
1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene
CID 139196261
4-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
CID 1363955
2-(2-naphthalen-1-ylethenyl)-3H-quinazolin-4-one
CID 135471735

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-naphthalen-1-ylethenyl)thiophen-1-yl]butanoic acid?
The IUPAC name of 4-[1-(2-naphthalen-1-ylethenyl)thiophen-1-yl]butanoic acid (CID 70421185) is 4-[1-(2-naphthalen-1-ylethenyl)thiophen-1-yl]butanoic acid.
What is the SMILES notation for 4-[1-(2-naphthalen-1-ylethenyl)thiophen-1-yl]butanoic acid?
The canonical SMILES for 4-[1-(2-naphthalen-1-ylethenyl)thiophen-1-yl]butanoic acid is O=C(O)CCCS1(C=Cc2cccc3ccccc23)C=CC=C1.
What is the InChIKey of 4-[1-(2-naphthalen-1-ylethenyl)thiophen-1-yl]butanoic acid?
The InChIKey is IURMBHXJEIQHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2S/c21-20(22)11-6-15-23(13-3-4-14-23)16-12-18-9-5-8-17-7-1-2-10-19(17)18/h1-5,7-10,12-14,16H,6,11,15H2,(H,21,22).
What are the key properties of 4-[1-(2-naphthalen-1-ylethenyl)thiophen-1-yl]butanoic acid?
4-[1-(2-naphthalen-1-ylethenyl)thiophen-1-yl]butanoic acid has a molecular weight of 324.44 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-naphthalen-1-ylethenyl)thiophen-1-yl]butanoic acid is sourced from PubChem (CID 70421185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).