6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid

C11H11BrO2 — CID 18545988

IUPAC6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid
SMILESCC1(C(=O)O)CCc2ccc(Br)cc21
InChIInChI=1S/C11H11BrO2/c1-11(10(13)14)5-4-7-2-3-8(12)6-9(7)11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyHOLACZMJSYTUBA-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.74
Rot. Bonds1

About 6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid

6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid (PubChem CID 18545988) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid
PubChem CID18545988
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid
SMILESCC1(C(=O)O)CCc2ccc(Br)cc21
InChIInChI=1S/C11H11BrO2/c1-11(10(13)14)5-4-7-2-3-8(12)6-9(7)11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyHOLACZMJSYTUBA-UHFFFAOYSA-N
XLogP2.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 84729994
6-bromo-4-methyl-2,3-dihydrochromene-4-carboxylic acid
CID 84730081
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
5-bromo-1,3-dimethyl-2H-indole-3-carboxylic acid
CID 156819150
(7R)-2,2-difluoro-7-methyl-5,6-dihydrocyclopenta[f][1,3]benzodioxole-7-carboxylic acid
CID 138596948
2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 57352291
6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 10537940
5-benzoyl-6-hydroxy-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 150280262
7-bromo-1,1-dimethyl-3,4-dihydronaphthalen-2-one
CID 115010938
1-methyl-5-(trifluoromethyl)-2,3-dihydroindene-1-carboxylic acid
CID 115045193
(1S)-1-amino-5-bromo-2,3-dihydroindene-1-carboxylic acid
CID 118956982
(6-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine
CID 84728033

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid (CID 18545988) is 6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid is CC1(C(=O)O)CCc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is HOLACZMJSYTUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c1-11(10(13)14)5-4-7-2-3-8(12)6-9(7)11/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of 6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid?
6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 255.11 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 18545988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).