4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)thiophene-2-carboxylic acid

C16H16O3S — CID 66437326

IUPAC4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OCC2CCCc3ccccc32)cs1
InChIInChI=1S/C16H16O3S/c17-16(18)15-8-13(10-20-15)19-9-12-6-3-5-11-4-1-2-7-14(11)12/h1-2,4,7-8,10,12H,3,5-6,9H2,(H,17,18)
InChIKeyNNMBKKDSJMLZNR-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.95
Rot. Bonds4

About 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)thiophene-2-carboxylic acid

4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)thiophene-2-carboxylic acid (PubChem CID 66437326) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)thiophene-2-carboxylic acid
PubChem CID66437326
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OCC2CCCc3ccccc32)cs1
InChIInChI=1S/C16H16O3S/c17-16(18)15-8-13(10-20-15)19-9-12-6-3-5-11-4-1-2-7-14(11)12/h1-2,4,7-8,10,12H,3,5-6,9H2,(H,17,18)
InChIKeyNNMBKKDSJMLZNR-UHFFFAOYSA-N
XLogP3.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63771297
2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63772089
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)cyclohexane-1-carboxylic acid
CID 114450996
1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole
CID 116793965
2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)benzonitrile
CID 102724073
5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
CID 71387603
1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene
CID 83056818
7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid
CID 70165962
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63771052
1-[(5-bromo-2-fluorophenoxy)methyl]-1,2,3,4-tetrahydronaphthalene
CID 114672636
4-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46578689

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)thiophene-2-carboxylic acid?
The IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)thiophene-2-carboxylic acid (CID 66437326) is 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)thiophene-2-carboxylic acid is O=C(O)c1cc(OCC2CCCc3ccccc32)cs1.
What is the InChIKey of 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)thiophene-2-carboxylic acid?
The InChIKey is NNMBKKDSJMLZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3S/c17-16(18)15-8-13(10-20-15)19-9-12-6-3-5-11-4-1-2-7-14(11)12/h1-2,4,7-8,10,12H,3,5-6,9H2,(H,17,18).
What are the key properties of 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)thiophene-2-carboxylic acid?
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)thiophene-2-carboxylic acid has a molecular weight of 288.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 66437326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).