7-tert-butylnaphthalene-1-carboxylic acid

C15H16O2 — CID 130352675

IUPAC7-tert-butylnaphthalene-1-carboxylic acid
SMILESCC(C)(C)c1ccc2cccc(C(=O)O)c2c1
InChIInChI=1S/C15H16O2/c1-15(2,3)11-8-7-10-5-4-6-12(14(16)17)13(10)9-11/h4-9H,1-3H3,(H,16,17)
InChIKeyYBSKONKUEKOBNH-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.84
Rot. Bonds1

About 7-tert-butylnaphthalene-1-carboxylic acid

7-tert-butylnaphthalene-1-carboxylic acid (PubChem CID 130352675) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 7-tert-butylnaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name7-tert-butylnaphthalene-1-carboxylic acid
PubChem CID130352675
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name7-tert-butylnaphthalene-1-carboxylic acid
SMILESCC(C)(C)c1ccc2cccc(C(=O)O)c2c1
InChIInChI=1S/C15H16O2/c1-15(2,3)11-8-7-10-5-4-6-12(14(16)17)13(10)9-11/h4-9H,1-3H3,(H,16,17)
InChIKeyYBSKONKUEKOBNH-UHFFFAOYSA-N
XLogP3.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-2-naphthalen-1-ylbenzoic acid
CID 22306797
6-(trifluoromethyl)phenanthrene-1-carboxylic acid
CID 625892
benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid
CID 70544806
7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid
CID 19606931
7-borononaphthalene-1-carboxylic acid
CID 71291408
1,7-ditert-butylnaphthalene
CID 59350345
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
5-[(5-carboxyanthracen-1-yl)methyl]anthracene-1-carboxylic acid
CID 88959445
6,7-difluoronaphthalene-1-carboxylic acid
CID 10856682
5-tert-butyl-2-(carboxymethyl)benzoic acid
CID 58860391
naphthalene-1-carboxylic acid;propanoic acid
CID 161134976

Frequently Asked Questions

What is the IUPAC name of 7-tert-butylnaphthalene-1-carboxylic acid?
The IUPAC name of 7-tert-butylnaphthalene-1-carboxylic acid (CID 130352675) is 7-tert-butylnaphthalene-1-carboxylic acid.
What is the SMILES notation for 7-tert-butylnaphthalene-1-carboxylic acid?
The canonical SMILES for 7-tert-butylnaphthalene-1-carboxylic acid is CC(C)(C)c1ccc2cccc(C(=O)O)c2c1.
What is the InChIKey of 7-tert-butylnaphthalene-1-carboxylic acid?
The InChIKey is YBSKONKUEKOBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-15(2,3)11-8-7-10-5-4-6-12(14(16)17)13(10)9-11/h4-9H,1-3H3,(H,16,17).
What are the key properties of 7-tert-butylnaphthalene-1-carboxylic acid?
7-tert-butylnaphthalene-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butylnaphthalene-1-carboxylic acid is sourced from PubChem (CID 130352675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).