3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid

C15H14O4 — CID 116871824

IUPAC3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid
SMILESCOc1ccc2cc(C3(C(=O)O)COC3)ccc2c1
InChIInChI=1S/C15H14O4/c1-18-13-5-3-10-6-12(4-2-11(10)7-13)15(14(16)17)8-19-9-15/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyJAOXGVHBVKIHBH-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.20
Rot. Bonds3

About 3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid

3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid (PubChem CID 116871824) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid
PubChem CID116871824
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid
SMILESCOc1ccc2cc(C3(C(=O)O)COC3)ccc2c1
InChIInChI=1S/C15H14O4/c1-18-13-5-3-10-6-12(4-2-11(10)7-13)15(14(16)17)8-19-9-15/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyJAOXGVHBVKIHBH-UHFFFAOYSA-N
XLogP2.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-4-methoxyphenyl)oxetane-3-carboxylic acid
CID 116871779
3-methoxy-3-(6-methoxynaphthalen-2-yl)oxetane
CID 116876018
3-chloro-3-(6-methoxynaphthalen-2-yl)oxetane
CID 116876570
3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylic acid
CID 116989347
1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine
CID 116869429
1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 65000749
2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid
CID 62387826
ethyl 3-naphthalen-2-yloxetane-3-carboxylate
CID 116875843
1-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 23568520
1-(6-methoxy-1-benzofuran-2-yl)cyclopentane-1-carboxylic acid
CID 82665807
1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353654
1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83556280

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid?
The IUPAC name of 3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid (CID 116871824) is 3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid.
What is the SMILES notation for 3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid?
The canonical SMILES for 3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid is COc1ccc2cc(C3(C(=O)O)COC3)ccc2c1.
What is the InChIKey of 3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid?
The InChIKey is JAOXGVHBVKIHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-18-13-5-3-10-6-12(4-2-11(10)7-13)15(14(16)17)8-19-9-15/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of 3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid?
3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid is sourced from PubChem (CID 116871824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).