1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclobutane-1-carboxylic acid

C14H15BrO3 — CID 117495973

IUPAC1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cc3c(c(Br)c2O)CCC3)CCC1
InChIInChI=1S/C14H15BrO3/c15-11-9-4-1-3-8(9)7-10(12(11)16)14(13(17)18)5-2-6-14/h7,16H,1-6H2,(H,17,18)
InChIKeyGEATUOXTDPIIGS-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.15
Rot. Bonds2

About 1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclobutane-1-carboxylic acid

1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclobutane-1-carboxylic acid (PubChem CID 117495973) has the molecular formula C14H15BrO3 and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclobutane-1-carboxylic acid
PubChem CID117495973
Molecular FormulaC14H15BrO3
Molecular Weight311.18 g/mol
Exact Mass310.02
IUPAC Name1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cc3c(c(Br)c2O)CCC3)CCC1
InChIInChI=1S/C14H15BrO3/c15-11-9-4-1-3-8(9)7-10(12(11)16)14(13(17)18)5-2-6-14/h7,16H,1-6H2,(H,17,18)
InChIKeyGEATUOXTDPIIGS-UHFFFAOYSA-N
XLogP3.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexane-1-carboxylic acid
CID 117493667
6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol
CID 117453234
6-[1-(1-aminoethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol
CID 117477283
1-(3-bromo-2-hydroxy-4,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117458823
1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117466689
1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid
CID 117314000
1-(3-bromo-4-hydroxy-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117458909
5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol
CID 171560787
1-(4-methoxy-2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxylic acid
CID 117405081
3-amino-1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 117456967
1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid
CID 117410085
1-(3-bromo-2-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117466688

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclobutane-1-carboxylic acid (CID 117495973) is 1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2cc3c(c(Br)c2O)CCC3)CCC1.
What is the InChIKey of 1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclobutane-1-carboxylic acid?
The InChIKey is GEATUOXTDPIIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO3/c15-11-9-4-1-3-8(9)7-10(12(11)16)14(13(17)18)5-2-6-14/h7,16H,1-6H2,(H,17,18).
What are the key properties of 1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclobutane-1-carboxylic acid?
1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclobutane-1-carboxylic acid has a molecular weight of 311.18 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117495973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).