5-methylbenzene-1,3-dicarboxylic acid;naphthalen-1-ol

C19H16O5 — CID 158292153

IUPAC5-methylbenzene-1,3-dicarboxylic acid;naphthalen-1-ol
SMILESCc1cc(C(=O)O)cc(C(=O)O)c1.Oc1cccc2ccccc12
InChIInChI=1S/C10H8O.C9H8O4/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-5-2-6(8(10)11)4-7(3-5)9(12)13/h1-7,11H;2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyOXRWFHNJQZBIMX-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.94
Rot. Bonds2

About 5-methylbenzene-1,3-dicarboxylic acid;naphthalen-1-ol

5-methylbenzene-1,3-dicarboxylic acid;naphthalen-1-ol (PubChem CID 158292153) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is 5-methylbenzene-1,3-dicarboxylic acid;naphthalen-1-ol.

Molecular Properties

Compound Name5-methylbenzene-1,3-dicarboxylic acid;naphthalen-1-ol
PubChem CID158292153
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name5-methylbenzene-1,3-dicarboxylic acid;naphthalen-1-ol
SMILESCc1cc(C(=O)O)cc(C(=O)O)c1.Oc1cccc2ccccc12
InChIInChI=1S/C10H8O.C9H8O4/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-5-2-6(8(10)11)4-7(3-5)9(12)13/h1-7,11H;2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyOXRWFHNJQZBIMX-UHFFFAOYSA-N
XLogP3.94
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methanamine;5-methylbenzene-1,3-dicarboxylic acid;naphthalene
CID 174704003
methylcarbamic acid;naphthalen-1-ol
CID 53442833
benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid
CID 70544806
naphthalen-1-ol;propanoic acid
CID 19792721
chloromethane;ethane;naphthalen-1-ol
CID 144848699
3-methylphenol;naphthalen-1-ol
CID 66623772
tetrakis(naphthalen-1-ol);titanium
CID 18400436
naphthalene;naphthalen-1-ol
CID 174561564
butane;naphthalen-1-ol
CID 142905950
bis(naphthalen-1-ol);titanium(2+);dichloride
CID 21243627
bis(naphthalen-1-ol);zirconium(2+);dichloride
CID 21243616
naphthalen-1-ol;zinc;hydrate
CID 175263139

Frequently Asked Questions

What is the IUPAC name of 5-methylbenzene-1,3-dicarboxylic acid;naphthalen-1-ol?
The IUPAC name of 5-methylbenzene-1,3-dicarboxylic acid;naphthalen-1-ol (CID 158292153) is 5-methylbenzene-1,3-dicarboxylic acid;naphthalen-1-ol.
What is the SMILES notation for 5-methylbenzene-1,3-dicarboxylic acid;naphthalen-1-ol?
The canonical SMILES for 5-methylbenzene-1,3-dicarboxylic acid;naphthalen-1-ol is Cc1cc(C(=O)O)cc(C(=O)O)c1.Oc1cccc2ccccc12.
What is the InChIKey of 5-methylbenzene-1,3-dicarboxylic acid;naphthalen-1-ol?
The InChIKey is OXRWFHNJQZBIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O.C9H8O4/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-5-2-6(8(10)11)4-7(3-5)9(12)13/h1-7,11H;2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of 5-methylbenzene-1,3-dicarboxylic acid;naphthalen-1-ol?
5-methylbenzene-1,3-dicarboxylic acid;naphthalen-1-ol has a molecular weight of 324.33 g/mol, XLogP of 3.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylbenzene-1,3-dicarboxylic acid;naphthalen-1-ol is sourced from PubChem (CID 158292153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).