4-bromo-2-cyclopentyloxybenzoic acid

C12H13BrO3 — CID 60763632

IUPAC4-bromo-2-cyclopentyloxybenzoic acid
SMILESO=C(O)c1ccc(Br)cc1OC1CCCC1
InChIInChI=1S/C12H13BrO3/c13-8-5-6-10(12(14)15)11(7-8)16-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,15)
InChIKeyPVGLRMHRKSPLSW-UHFFFAOYSA-N
MW285.14 g/mol
LogP3.47
Rot. Bonds3

About 4-bromo-2-cyclopentyloxybenzoic acid

4-bromo-2-cyclopentyloxybenzoic acid (PubChem CID 60763632) has the molecular formula C12H13BrO3 and a molecular weight of 285.14 g/mol. Its IUPAC name is 4-bromo-2-cyclopentyloxybenzoic acid.

Molecular Properties

Compound Name4-bromo-2-cyclopentyloxybenzoic acid
PubChem CID60763632
Molecular FormulaC12H13BrO3
Molecular Weight285.14 g/mol
Exact Mass284.00
IUPAC Name4-bromo-2-cyclopentyloxybenzoic acid
SMILESO=C(O)c1ccc(Br)cc1OC1CCCC1
InChIInChI=1S/C12H13BrO3/c13-8-5-6-10(12(14)15)11(7-8)16-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,15)
InChIKeyPVGLRMHRKSPLSW-UHFFFAOYSA-N
XLogP3.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-cyclopentyloxyphenyl)ethanone
CID 70085923
4-bromo-2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 114907573
4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
2-cyclobutyloxy-4-methylbenzoic acid
CID 62700894
4-chloro-2-cyclobutyloxybenzoic acid
CID 63082704
2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041
2-cyclopentyloxy-5-iodobenzoic acid
CID 82995934
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
4-bromo-2-(cyclopropylmethoxy)benzoic acid
CID 60763604
1-[4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]ethanone
CID 114341240
2-cyclopentyloxy-4-propoxybenzoic acid
CID 43472393
3-(5-bromo-2-cyclopentyloxyphenyl)prop-2-enoic acid
CID 57367608

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyclopentyloxybenzoic acid?
The IUPAC name of 4-bromo-2-cyclopentyloxybenzoic acid (CID 60763632) is 4-bromo-2-cyclopentyloxybenzoic acid.
What is the SMILES notation for 4-bromo-2-cyclopentyloxybenzoic acid?
The canonical SMILES for 4-bromo-2-cyclopentyloxybenzoic acid is O=C(O)c1ccc(Br)cc1OC1CCCC1.
What is the InChIKey of 4-bromo-2-cyclopentyloxybenzoic acid?
The InChIKey is PVGLRMHRKSPLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO3/c13-8-5-6-10(12(14)15)11(7-8)16-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,15).
What are the key properties of 4-bromo-2-cyclopentyloxybenzoic acid?
4-bromo-2-cyclopentyloxybenzoic acid has a molecular weight of 285.14 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-cyclopentyloxybenzoic acid is sourced from PubChem (CID 60763632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).