7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid

C15H16O3 — CID 19606931

IUPAC7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid
SMILESCC(C)(C)c1ccc2ccc(O)c(C(=O)O)c2c1
InChIInChI=1S/C15H16O3/c1-15(2,3)10-6-4-9-5-7-12(16)13(14(17)18)11(9)8-10/h4-8,16H,1-3H3,(H,17,18)
InChIKeyRQUPANHFVZUEPO-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.54
Rot. Bonds1

About 7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid

7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid (PubChem CID 19606931) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid
PubChem CID19606931
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid
SMILESCC(C)(C)c1ccc2ccc(O)c(C(=O)O)c2c1
InChIInChI=1S/C15H16O3/c1-15(2,3)10-6-4-9-5-7-12(16)13(14(17)18)11(9)8-10/h4-8,16H,1-3H3,(H,17,18)
InChIKeyRQUPANHFVZUEPO-UHFFFAOYSA-N
XLogP3.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-tert-butylnaphthalene-1-carboxylic acid
CID 130352675
2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride
CID 68837450
2,6-dihydroxynaphthalene-1-carboxylic acid
CID 10149075
2-(4-tert-butyl-2-hydroxyphenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 153315877
2-(5-tert-butyl-2-hydroxyphenyl)-2-oxoacetic acid
CID 117317802
3-tert-butyl-6-hydroxy-2-methylbenzoic acid
CID 154313774
6-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1,3-dihydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2,3-dihydroxynaphthalene-1-carboxylic acid;3-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;6-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;6-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-1-hydroxynaphthalene-2-carboxylic acid;7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid;7-tert-butyl-3-hydroxynaphthalene-2-carboxylic acid;3-tert-butylnaphthalen-1-ol;carbon dioxide
CID 158205708
6-acetyloxy-2-hydroxynaphthalene-1-carboxylic acid
CID 70465846
3-[2-(2,3-dicarboxy-4-hydroxyphenyl)propan-2-yl]-6-hydroxyphthalic acid
CID 129303917
(3,7-ditert-butylnaphthalen-1-yl)boronic acid
CID 58068101
2-hydroxynaphthalene-1-carboxylic acid;naphthalene-1-sulfonic acid
CID 175565769
4-amino-2-(4-tert-butyl-2-hydroxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 155338271

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid?
The IUPAC name of 7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid (CID 19606931) is 7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid.
What is the SMILES notation for 7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid?
The canonical SMILES for 7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid is CC(C)(C)c1ccc2ccc(O)c(C(=O)O)c2c1.
What is the InChIKey of 7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid?
The InChIKey is RQUPANHFVZUEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-15(2,3)10-6-4-9-5-7-12(16)13(14(17)18)11(9)8-10/h4-8,16H,1-3H3,(H,17,18).
What are the key properties of 7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid?
7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 3.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid is sourced from PubChem (CID 19606931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).