5-methylnaphthalene-1-carboxylic acid

C12H10O2 — CID 13454957

IUPAC5-methylnaphthalene-1-carboxylic acid
SMILESCc1cccc2c(C(=O)O)cccc12
InChIInChI=1S/C12H10O2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKeyVLEZTIKHFUAVRK-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.85
Rot. Bonds1

About 5-methylnaphthalene-1-carboxylic acid

5-methylnaphthalene-1-carboxylic acid (PubChem CID 13454957) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 5-methylnaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name5-methylnaphthalene-1-carboxylic acid
PubChem CID13454957
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name5-methylnaphthalene-1-carboxylic acid
SMILESCc1cccc2c(C(=O)O)cccc12
InChIInChI=1S/C12H10O2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKeyVLEZTIKHFUAVRK-UHFFFAOYSA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methylnaphthalene-1-carboxylic acid?
The IUPAC name of 5-methylnaphthalene-1-carboxylic acid (CID 13454957) is 5-methylnaphthalene-1-carboxylic acid.
What is the SMILES notation for 5-methylnaphthalene-1-carboxylic acid?
The canonical SMILES for 5-methylnaphthalene-1-carboxylic acid is Cc1cccc2c(C(=O)O)cccc12.
What is the InChIKey of 5-methylnaphthalene-1-carboxylic acid?
The InChIKey is VLEZTIKHFUAVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3,(H,13,14).
What are the key properties of 5-methylnaphthalene-1-carboxylic acid?
5-methylnaphthalene-1-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylnaphthalene-1-carboxylic acid is sourced from PubChem (CID 13454957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).