methyl 4-hydroxy-6-propylnaphthalene-2-carboxylate

C15H16O3 — CID 170047349

IUPACmethyl 4-hydroxy-6-propylnaphthalene-2-carboxylate
SMILESCCCc1ccc2cc(C(=O)OC)cc(O)c2c1
InChIInChI=1S/C15H16O3/c1-3-4-10-5-6-11-8-12(15(17)18-2)9-14(16)13(11)7-10/h5-9,16H,3-4H2,1-2H3
InChIKeyQJFZLLCJRGTNFL-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.28
Rot. Bonds3

About methyl 4-hydroxy-6-propylnaphthalene-2-carboxylate

methyl 4-hydroxy-6-propylnaphthalene-2-carboxylate (PubChem CID 170047349) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 4-hydroxy-6-propylnaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-6-propylnaphthalene-2-carboxylate
PubChem CID170047349
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Namemethyl 4-hydroxy-6-propylnaphthalene-2-carboxylate
SMILESCCCc1ccc2cc(C(=O)OC)cc(O)c2c1
InChIInChI=1S/C15H16O3/c1-3-4-10-5-6-11-8-12(15(17)18-2)9-14(16)13(11)7-10/h5-9,16H,3-4H2,1-2H3
InChIKeyQJFZLLCJRGTNFL-UHFFFAOYSA-N
XLogP3.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-6-propylnaphthalene-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-6-propylnaphthalene-2-carboxylate (CID 170047349) is methyl 4-hydroxy-6-propylnaphthalene-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-6-propylnaphthalene-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-6-propylnaphthalene-2-carboxylate is CCCc1ccc2cc(C(=O)OC)cc(O)c2c1.
What is the InChIKey of methyl 4-hydroxy-6-propylnaphthalene-2-carboxylate?
The InChIKey is QJFZLLCJRGTNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-3-4-10-5-6-11-8-12(15(17)18-2)9-14(16)13(11)7-10/h5-9,16H,3-4H2,1-2H3.
What are the key properties of methyl 4-hydroxy-6-propylnaphthalene-2-carboxylate?
methyl 4-hydroxy-6-propylnaphthalene-2-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-6-propylnaphthalene-2-carboxylate is sourced from PubChem (CID 170047349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).