1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid

C10H9BrO3 — CID 83731582

IUPAC1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(O)c(Br)c2)CC1
InChIInChI=1S/C10H9BrO3/c11-7-5-6(1-2-8(7)12)10(3-4-10)9(13)14/h1-2,5,12H,3-4H2,(H,13,14)
InChIKeyZFZPZSFUWOXURY-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.27
Rot. Bonds2

About 1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid

1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 83731582) has the molecular formula C10H9BrO3 and a molecular weight of 257.08 g/mol. Its IUPAC name is 1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID83731582
Molecular FormulaC10H9BrO3
Molecular Weight257.08 g/mol
Exact Mass255.97
IUPAC Name1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(O)c(Br)c2)CC1
InChIInChI=1S/C10H9BrO3/c11-7-5-6(1-2-8(7)12)10(3-4-10)9(13)14/h1-2,5,12H,3-4H2,(H,13,14)
InChIKeyZFZPZSFUWOXURY-UHFFFAOYSA-N
XLogP2.27
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-4-hydroxyphenyl)cyclopropane-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-[3-bromo-4-(difluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117469960
1-[3-bromo-4-(dimethylamino)phenyl]cyclopropane-1-carboxylic acid
CID 117457005
2-bromo-4-[1-(3-bromo-4-hydroxyphenyl)cyclopropyl]phenol
CID 139838331
1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclopropane-1-carboxylic acid
CID 117328252
1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid
CID 82617664
1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 117430241
1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid
CID 117495952
1-(5-hydroxynaphthalen-2-yl)cyclopropane-1-carboxylic acid
CID 105485387
1-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 23568520
1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498388
1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopentane-1-carboxylic acid
CID 117481833
ethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 143872791

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid (CID 83731582) is 1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc(O)c(Br)c2)CC1.
What is the InChIKey of 1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is ZFZPZSFUWOXURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO3/c11-7-5-6(1-2-8(7)12)10(3-4-10)9(13)14/h1-2,5,12H,3-4H2,(H,13,14).
What are the key properties of 1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid?
1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 257.08 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83731582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).