4-bromo-2-(cyclopropylmethoxy)benzoic acid

C11H11BrO3 — CID 60763604

IUPAC4-bromo-2-(cyclopropylmethoxy)benzoic acid
SMILESO=C(O)c1ccc(Br)cc1OCC1CC1
InChIInChI=1S/C11H11BrO3/c12-8-3-4-9(11(13)14)10(5-8)15-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,13,14)
InChIKeyFMUNVFCEEJBATD-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.94
Rot. Bonds4

About 4-bromo-2-(cyclopropylmethoxy)benzoic acid

4-bromo-2-(cyclopropylmethoxy)benzoic acid (PubChem CID 60763604) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is 4-bromo-2-(cyclopropylmethoxy)benzoic acid.

Molecular Properties

Compound Name4-bromo-2-(cyclopropylmethoxy)benzoic acid
PubChem CID60763604
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Name4-bromo-2-(cyclopropylmethoxy)benzoic acid
SMILESO=C(O)c1ccc(Br)cc1OCC1CC1
InChIInChI=1S/C11H11BrO3/c12-8-3-4-9(11(13)14)10(5-8)15-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,13,14)
InChIKeyFMUNVFCEEJBATD-UHFFFAOYSA-N
XLogP2.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-(cyclopropylmethoxy)benzoic 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

4-amino-2-(cyclopentylmethoxy)benzoic acid
CID 66321807
2-(cyclopropylmethoxy)-4-phenylbenzoic acid
CID 162369991
4-bromo-2-(fluoromethoxy)benzoic acid
CID 172802099
5-amino-2-(cyclopropylmethoxy)benzoic acid
CID 43560606
4-bromo-2-(3-cyclopentyl-2-hydroxypropoxy)benzoic acid
CID 103156157
4-chloro-2-(cyclohexylmethoxy)benzoic acid
CID 61379401
4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene
CID 147305100
4-bromo-2-cyclopentyloxybenzoic acid
CID 60763632
4-bromo-2-[(1-hydroxycyclopentyl)methoxy]benzoic acid
CID 65213790
4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid
CID 14403895
4-bromo-2-(6-hydroxyhexoxy)benzoic acid
CID 107702160
2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid
CID 55107907

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(cyclopropylmethoxy)benzoic acid?
The IUPAC name of 4-bromo-2-(cyclopropylmethoxy)benzoic acid (CID 60763604) is 4-bromo-2-(cyclopropylmethoxy)benzoic acid.
What is the SMILES notation for 4-bromo-2-(cyclopropylmethoxy)benzoic acid?
The canonical SMILES for 4-bromo-2-(cyclopropylmethoxy)benzoic acid is O=C(O)c1ccc(Br)cc1OCC1CC1.
What is the InChIKey of 4-bromo-2-(cyclopropylmethoxy)benzoic acid?
The InChIKey is FMUNVFCEEJBATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c12-8-3-4-9(11(13)14)10(5-8)15-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,13,14).
What are the key properties of 4-bromo-2-(cyclopropylmethoxy)benzoic acid?
4-bromo-2-(cyclopropylmethoxy)benzoic acid has a molecular weight of 271.11 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(cyclopropylmethoxy)benzoic acid is sourced from PubChem (CID 60763604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).