6-hydroxy-8-propan-2-ylnaphthalene-2-carboxylic acid

C14H14O3 — CID 156581500

IUPAC6-hydroxy-8-propan-2-ylnaphthalene-2-carboxylic acid
SMILESCC(C)c1cc(O)cc2ccc(C(=O)O)cc12
InChIInChI=1S/C14H14O3/c1-8(2)12-7-11(15)5-9-3-4-10(14(16)17)6-13(9)12/h3-8,15H,1-2H3,(H,16,17)
InChIKeyWAHQRVDWBUGXLB-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.37
Rot. Bonds2

About 6-hydroxy-8-propan-2-ylnaphthalene-2-carboxylic acid

6-hydroxy-8-propan-2-ylnaphthalene-2-carboxylic acid (PubChem CID 156581500) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 6-hydroxy-8-propan-2-ylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-8-propan-2-ylnaphthalene-2-carboxylic acid
PubChem CID156581500
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name6-hydroxy-8-propan-2-ylnaphthalene-2-carboxylic acid
SMILESCC(C)c1cc(O)cc2ccc(C(=O)O)cc12
InChIInChI=1S/C14H14O3/c1-8(2)12-7-11(15)5-9-3-4-10(14(16)17)6-13(9)12/h3-8,15H,1-2H3,(H,16,17)
InChIKeyWAHQRVDWBUGXLB-UHFFFAOYSA-N
XLogP3.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethynyl-4-propan-2-ylnaphthalen-2-ol
CID 176748059
4-methyl-3-propan-2-ylbenzoic acid
CID 23530580
4-tert-butylnaphthalene-2,6-dicarboxylic acid
CID 23139718
4-hydroxybenzoic acid;4-hydroxy-3,5-di(propan-2-yl)benzoic acid
CID 159385811
actinium;6-hydroxynaphthalene-2-carboxylic acid
CID 59891781
naphthalene-2-carboxylic acid;naphthalen-2-ol
CID 161405760
naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726
2-oxo-4-propan-2-yl-1H-quinoline-7-carboxylic acid
CID 134357859
4-methoxy-3,5-di(propan-2-yl)benzoic acid
CID 15895030
5-chloro-7-hydroxynaphthalene-2-carboxylic acid
CID 139998585
3-methoxy-4-propan-2-ylbenzoic acid
CID 20750185
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-8-propan-2-ylnaphthalene-2-carboxylic acid?
The IUPAC name of 6-hydroxy-8-propan-2-ylnaphthalene-2-carboxylic acid (CID 156581500) is 6-hydroxy-8-propan-2-ylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 6-hydroxy-8-propan-2-ylnaphthalene-2-carboxylic acid?
The canonical SMILES for 6-hydroxy-8-propan-2-ylnaphthalene-2-carboxylic acid is CC(C)c1cc(O)cc2ccc(C(=O)O)cc12.
What is the InChIKey of 6-hydroxy-8-propan-2-ylnaphthalene-2-carboxylic acid?
The InChIKey is WAHQRVDWBUGXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-8(2)12-7-11(15)5-9-3-4-10(14(16)17)6-13(9)12/h3-8,15H,1-2H3,(H,16,17).
What are the key properties of 6-hydroxy-8-propan-2-ylnaphthalene-2-carboxylic acid?
6-hydroxy-8-propan-2-ylnaphthalene-2-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-8-propan-2-ylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 156581500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).