2,3,4-trimethylnaphthalene-1-carboxylic acid

C14H14O2 — CID 14435026

IUPAC2,3,4-trimethylnaphthalene-1-carboxylic acid
SMILESCc1c(C)c(C(=O)O)c2ccccc2c1C
InChIInChI=1S/C14H14O2/c1-8-9(2)11-6-4-5-7-12(11)13(10(8)3)14(15)16/h4-7H,1-3H3,(H,15,16)
InChIKeyNGMSNDAVCXQOIN-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.46
Rot. Bonds1

About 2,3,4-trimethylnaphthalene-1-carboxylic acid

2,3,4-trimethylnaphthalene-1-carboxylic acid (PubChem CID 14435026) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2,3,4-trimethylnaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2,3,4-trimethylnaphthalene-1-carboxylic acid
PubChem CID14435026
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2,3,4-trimethylnaphthalene-1-carboxylic acid
SMILESCc1c(C)c(C(=O)O)c2ccccc2c1C
InChIInChI=1S/C14H14O2/c1-8-9(2)11-6-4-5-7-12(11)13(10(8)3)14(15)16/h4-7H,1-3H3,(H,15,16)
InChIKeyNGMSNDAVCXQOIN-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylnaphthalene-1-carboxylic acid?
The IUPAC name of 2,3,4-trimethylnaphthalene-1-carboxylic acid (CID 14435026) is 2,3,4-trimethylnaphthalene-1-carboxylic acid.
What is the SMILES notation for 2,3,4-trimethylnaphthalene-1-carboxylic acid?
The canonical SMILES for 2,3,4-trimethylnaphthalene-1-carboxylic acid is Cc1c(C)c(C(=O)O)c2ccccc2c1C.
What is the InChIKey of 2,3,4-trimethylnaphthalene-1-carboxylic acid?
The InChIKey is NGMSNDAVCXQOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-8-9(2)11-6-4-5-7-12(11)13(10(8)3)14(15)16/h4-7H,1-3H3,(H,15,16).
What are the key properties of 2,3,4-trimethylnaphthalene-1-carboxylic acid?
2,3,4-trimethylnaphthalene-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylnaphthalene-1-carboxylic acid is sourced from PubChem (CID 14435026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).