4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid

C16H12O3S — CID 66436693

IUPAC4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OCc2cccc3ccccc23)cs1
InChIInChI=1S/C16H12O3S/c17-16(18)15-8-13(10-20-15)19-9-12-6-3-5-11-4-1-2-7-14(11)12/h1-8,10H,9H2,(H,17,18)
InChIKeyNWMJBPSDCLDJLQ-UHFFFAOYSA-N
MW284.34 g/mol
LogP4.18
Rot. Bonds4

About 4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid

4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid (PubChem CID 66436693) has the molecular formula C16H12O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid
PubChem CID66436693
Molecular FormulaC16H12O3S
Molecular Weight284.34 g/mol
Exact Mass284.05
IUPAC Name4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OCc2cccc3ccccc23)cs1
InChIInChI=1S/C16H12O3S/c17-16(18)15-8-13(10-20-15)19-9-12-6-3-5-11-4-1-2-7-14(11)12/h1-8,10H,9H2,(H,17,18)
InChIKeyNWMJBPSDCLDJLQ-UHFFFAOYSA-N
XLogP4.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid
CID 79234546
CID 67883357
CID 67883357
1-(phenoxymethyl)naphthalene
CID 588110
4-[(5-chloro-2-fluorophenyl)methoxy]thiophene-2-carboxylic acid
CID 103046291
4-[(2-bromo-4-fluorophenyl)methoxy]thiophene-2-carboxylic acid
CID 66437354
4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid
CID 10596178
4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid
CID 66436704
(2S)-2-(naphthalen-1-ylmethoxy)propanoic acid
CID 104876043
4-[(1,3-dioxoisoindol-2-yl)methoxy]thiophene-2-carboxylic acid
CID 66438194
4-(naphthalen-1-ylmethoxy)benzohydrazide
CID 91683225
4-[2-(N-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66436887
3-chloro-4-(naphthalen-1-ylmethoxy)benzoyl chloride
CID 91683497

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid?
The IUPAC name of 4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid (CID 66436693) is 4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid is O=C(O)c1cc(OCc2cccc3ccccc23)cs1.
What is the InChIKey of 4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid?
The InChIKey is NWMJBPSDCLDJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3S/c17-16(18)15-8-13(10-20-15)19-9-12-6-3-5-11-4-1-2-7-14(11)12/h1-8,10H,9H2,(H,17,18).
What are the key properties of 4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid?
4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 66436693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).