7-bromo-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

C14H17BrO2 — CID 115058003

IUPAC7-bromo-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESCC(C)C1c2cc(Br)ccc2CCC1C(=O)O
InChIInChI=1S/C14H17BrO2/c1-8(2)13-11(14(16)17)6-4-9-3-5-10(15)7-12(9)13/h3,5,7-8,11,13H,4,6H2,1-2H3,(H,16,17)
InChIKeyIWMLYXKHMJKXKX-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.84
Rot. Bonds2

About 7-bromo-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

7-bromo-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 115058003) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 7-bromo-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-bromo-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
PubChem CID115058003
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name7-bromo-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESCC(C)C1c2cc(Br)ccc2CCC1C(=O)O
InChIInChI=1S/C14H17BrO2/c1-8(2)13-11(14(16)17)6-4-9-3-5-10(15)7-12(9)13/h3,5,7-8,11,13H,4,6H2,1-2H3,(H,16,17)
InChIKeyIWMLYXKHMJKXKX-UHFFFAOYSA-N
XLogP3.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057019
3-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid
CID 83816190
(1R,2R)-1-amino-7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol
CID 67280135
(1R)-7-bromo-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 86330126
7-chloro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057000
6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570808
6-bromo-1-nitroso-2,3-dihydro-1H-indene
CID 90991723
6-bromo-2,3-dihydro-1H-indene-1-carbaldehyde
CID 134939038
2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 116962934
5-bromo-1-propan-2-yl-2,3-dihydroindole-3-carboxylic acid
CID 117202283
tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
CID 59505686
5-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
CID 115047924

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 7-bromo-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (CID 115058003) is 7-bromo-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 7-bromo-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 7-bromo-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is CC(C)C1c2cc(Br)ccc2CCC1C(=O)O.
What is the InChIKey of 7-bromo-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is IWMLYXKHMJKXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c1-8(2)13-11(14(16)17)6-4-9-3-5-10(15)7-12(9)13/h3,5,7-8,11,13H,4,6H2,1-2H3,(H,16,17).
What are the key properties of 7-bromo-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
7-bromo-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 297.19 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 115058003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).