2-(1-hydroxy-5-methylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid

C17H14O4 — CID 91139574

IUPAC2-(1-hydroxy-5-methylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid
SMILESCc1coc(-c2ccc3c(C)cccc3c2O)c1C(=O)O
InChIInChI=1S/C17H14O4/c1-9-4-3-5-12-11(9)6-7-13(15(12)18)16-14(17(19)20)10(2)8-21-16/h3-8,18H,1-2H3,(H,19,20)
InChIKeyOANBXZKSCILIMI-UHFFFAOYSA-N
MW282.30 g/mol
LogP4.12
Rot. Bonds2

About 2-(1-hydroxy-5-methylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid

2-(1-hydroxy-5-methylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid (PubChem CID 91139574) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(1-hydroxy-5-methylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-hydroxy-5-methylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid
PubChem CID91139574
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name2-(1-hydroxy-5-methylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid
SMILESCc1coc(-c2ccc3c(C)cccc3c2O)c1C(=O)O
InChIInChI=1S/C17H14O4/c1-9-4-3-5-12-11(9)6-7-13(15(12)18)16-14(17(19)20)10(2)8-21-16/h3-8,18H,1-2H3,(H,19,20)
InChIKeyOANBXZKSCILIMI-UHFFFAOYSA-N
XLogP4.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-5-methylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid?
The IUPAC name of 2-(1-hydroxy-5-methylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid (CID 91139574) is 2-(1-hydroxy-5-methylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid.
What is the SMILES notation for 2-(1-hydroxy-5-methylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid?
The canonical SMILES for 2-(1-hydroxy-5-methylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid is Cc1coc(-c2ccc3c(C)cccc3c2O)c1C(=O)O.
What is the InChIKey of 2-(1-hydroxy-5-methylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid?
The InChIKey is OANBXZKSCILIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-9-4-3-5-12-11(9)6-7-13(15(12)18)16-14(17(19)20)10(2)8-21-16/h3-8,18H,1-2H3,(H,19,20).
What are the key properties of 2-(1-hydroxy-5-methylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid?
2-(1-hydroxy-5-methylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-5-methylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid is sourced from PubChem (CID 91139574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).