7-tert-butyl-3,4-dihydronaphthalene-1-carboxylic acid

C15H18O2 — CID 82081831

IUPAC7-tert-butyl-3,4-dihydronaphthalene-1-carboxylic acid
SMILESCC(C)(C)c1ccc2c(c1)C(C(=O)O)=CCC2
InChIInChI=1S/C15H18O2/c1-15(2,3)11-8-7-10-5-4-6-12(14(16)17)13(10)9-11/h6-9H,4-5H2,1-3H3,(H,16,17)
InChIKeyOVFXUGNXBSNHIX-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.40
Rot. Bonds1

About 7-tert-butyl-3,4-dihydronaphthalene-1-carboxylic acid

7-tert-butyl-3,4-dihydronaphthalene-1-carboxylic acid (PubChem CID 82081831) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 7-tert-butyl-3,4-dihydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name7-tert-butyl-3,4-dihydronaphthalene-1-carboxylic acid
PubChem CID82081831
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name7-tert-butyl-3,4-dihydronaphthalene-1-carboxylic acid
SMILESCC(C)(C)c1ccc2c(c1)C(C(=O)O)=CCC2
InChIInChI=1S/C15H18O2/c1-15(2,3)11-8-7-10-5-4-6-12(14(16)17)13(10)9-11/h6-9H,4-5H2,1-3H3,(H,16,17)
InChIKeyOVFXUGNXBSNHIX-UHFFFAOYSA-N
XLogP3.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3,4-dihydronaphthalene-1-carboxylic acid?
The IUPAC name of 7-tert-butyl-3,4-dihydronaphthalene-1-carboxylic acid (CID 82081831) is 7-tert-butyl-3,4-dihydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 7-tert-butyl-3,4-dihydronaphthalene-1-carboxylic acid?
The canonical SMILES for 7-tert-butyl-3,4-dihydronaphthalene-1-carboxylic acid is CC(C)(C)c1ccc2c(c1)C(C(=O)O)=CCC2.
What is the InChIKey of 7-tert-butyl-3,4-dihydronaphthalene-1-carboxylic acid?
The InChIKey is OVFXUGNXBSNHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-15(2,3)11-8-7-10-5-4-6-12(14(16)17)13(10)9-11/h6-9H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 7-tert-butyl-3,4-dihydronaphthalene-1-carboxylic acid?
7-tert-butyl-3,4-dihydronaphthalene-1-carboxylic acid has a molecular weight of 230.31 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3,4-dihydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 82081831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).