3-(2-hydroxycyclohexyl)oxynaphthalene-2-carboxylic acid

C17H18O4 — CID 60885040

IUPAC3-(2-hydroxycyclohexyl)oxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1OC1CCCCC1O
InChIInChI=1S/C17H18O4/c18-14-7-3-4-8-15(14)21-16-10-12-6-2-1-5-11(12)9-13(16)17(19)20/h1-2,5-6,9-10,14-15,18H,3-4,7-8H2,(H,19,20)
InChIKeyKUFGAVFUFSLRCK-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.22
Rot. Bonds3

About 3-(2-hydroxycyclohexyl)oxynaphthalene-2-carboxylic acid

3-(2-hydroxycyclohexyl)oxynaphthalene-2-carboxylic acid (PubChem CID 60885040) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(2-hydroxycyclohexyl)oxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxycyclohexyl)oxynaphthalene-2-carboxylic acid
PubChem CID60885040
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name3-(2-hydroxycyclohexyl)oxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1OC1CCCCC1O
InChIInChI=1S/C17H18O4/c18-14-7-3-4-8-15(14)21-16-10-12-6-2-1-5-11(12)9-13(16)17(19)20/h1-2,5-6,9-10,14-15,18H,3-4,7-8H2,(H,19,20)
InChIKeyKUFGAVFUFSLRCK-UHFFFAOYSA-N
XLogP3.22
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxycyclohexyl)oxynaphthalene-2-carboxylic acid?
The IUPAC name of 3-(2-hydroxycyclohexyl)oxynaphthalene-2-carboxylic acid (CID 60885040) is 3-(2-hydroxycyclohexyl)oxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxycyclohexyl)oxynaphthalene-2-carboxylic acid?
The canonical SMILES for 3-(2-hydroxycyclohexyl)oxynaphthalene-2-carboxylic acid is O=C(O)c1cc2ccccc2cc1OC1CCCCC1O.
What is the InChIKey of 3-(2-hydroxycyclohexyl)oxynaphthalene-2-carboxylic acid?
The InChIKey is KUFGAVFUFSLRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c18-14-7-3-4-8-15(14)21-16-10-12-6-2-1-5-11(12)9-13(16)17(19)20/h1-2,5-6,9-10,14-15,18H,3-4,7-8H2,(H,19,20).
What are the key properties of 3-(2-hydroxycyclohexyl)oxynaphthalene-2-carboxylic acid?
3-(2-hydroxycyclohexyl)oxynaphthalene-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxycyclohexyl)oxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 60885040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).