3,5-dibromo-4-cyclopentyloxybenzoic acid

C12H12Br2O3 — CID 107738683

IUPAC3,5-dibromo-4-cyclopentyloxybenzoic acid
SMILESO=C(O)c1cc(Br)c(OC2CCCC2)c(Br)c1
InChIInChI=1S/C12H12Br2O3/c13-9-5-7(12(15)16)6-10(14)11(9)17-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,15,16)
InChIKeyNVQJSXNJGXZHLU-UHFFFAOYSA-N
MW364.03 g/mol
LogP4.23
Rot. Bonds3

About 3,5-dibromo-4-cyclopentyloxybenzoic acid

3,5-dibromo-4-cyclopentyloxybenzoic acid (PubChem CID 107738683) has the molecular formula C12H12Br2O3 and a molecular weight of 364.03 g/mol. Its IUPAC name is 3,5-dibromo-4-cyclopentyloxybenzoic acid.

Molecular Properties

Compound Name3,5-dibromo-4-cyclopentyloxybenzoic acid
PubChem CID107738683
Molecular FormulaC12H12Br2O3
Molecular Weight364.03 g/mol
Exact Mass361.92
IUPAC Name3,5-dibromo-4-cyclopentyloxybenzoic acid
SMILESO=C(O)c1cc(Br)c(OC2CCCC2)c(Br)c1
InChIInChI=1S/C12H12Br2O3/c13-9-5-7(12(15)16)6-10(14)11(9)17-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,15,16)
InChIKeyNVQJSXNJGXZHLU-UHFFFAOYSA-N
XLogP4.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.03
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-cyclopentyloxy-5-ethoxybenzoic acid
CID 43627080
(E)-3-(3,5-dibromo-4-cyclopentyloxyphenyl)prop-2-enoic acid
CID 107739222
3,5-dibromo-4-cyclopentyloxybenzaldehyde
CID 107738345
3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid
CID 894048
lithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide
CID 158093078
3,5-dimethyl-4-(4-methylcyclohexyl)oxybenzoic acid
CID 64749295
N-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 107743553
3,5-dimethyl-4-(oxan-4-yloxy)benzoic acid
CID 63937445
2-cyclopentyloxypyrimidine-5-carboxylic acid
CID 25116525
3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 107738433
3-bromo-5-(cyclopropylamino)-4-methylbenzoic acid
CID 18329334
4-bromo-2-cyclopentyloxybenzoic acid
CID 60763632

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-cyclopentyloxybenzoic acid?
The IUPAC name of 3,5-dibromo-4-cyclopentyloxybenzoic acid (CID 107738683) is 3,5-dibromo-4-cyclopentyloxybenzoic acid.
What is the SMILES notation for 3,5-dibromo-4-cyclopentyloxybenzoic acid?
The canonical SMILES for 3,5-dibromo-4-cyclopentyloxybenzoic acid is O=C(O)c1cc(Br)c(OC2CCCC2)c(Br)c1.
What is the InChIKey of 3,5-dibromo-4-cyclopentyloxybenzoic acid?
The InChIKey is NVQJSXNJGXZHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2O3/c13-9-5-7(12(15)16)6-10(14)11(9)17-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,15,16).
What are the key properties of 3,5-dibromo-4-cyclopentyloxybenzoic acid?
3,5-dibromo-4-cyclopentyloxybenzoic acid has a molecular weight of 364.03 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-cyclopentyloxybenzoic acid is sourced from PubChem (CID 107738683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).