3-(4-bromophenyl)-2-(cyclopropylmethoxy)-2-methylpropanoic acid

C14H17BrO3 — CID 67304707

IUPAC3-(4-bromophenyl)-2-(cyclopropylmethoxy)-2-methylpropanoic acid
SMILESCC(Cc1ccc(Br)cc1)(OCC1CC1)C(=O)O
InChIInChI=1S/C14H17BrO3/c1-14(13(16)17,18-9-11-2-3-11)8-10-4-6-12(15)7-5-10/h4-7,11H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyIFQCALLYOMXQIK-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.26
Rot. Bonds6

About 3-(4-bromophenyl)-2-(cyclopropylmethoxy)-2-methylpropanoic acid

3-(4-bromophenyl)-2-(cyclopropylmethoxy)-2-methylpropanoic acid (PubChem CID 67304707) has the molecular formula C14H17BrO3 and a molecular weight of 313.19 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-(cyclopropylmethoxy)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-(cyclopropylmethoxy)-2-methylpropanoic acid
PubChem CID67304707
Molecular FormulaC14H17BrO3
Molecular Weight313.19 g/mol
Exact Mass312.04
IUPAC Name3-(4-bromophenyl)-2-(cyclopropylmethoxy)-2-methylpropanoic acid
SMILESCC(Cc1ccc(Br)cc1)(OCC1CC1)C(=O)O
InChIInChI=1S/C14H17BrO3/c1-14(13(16)17,18-9-11-2-3-11)8-10-4-6-12(15)7-5-10/h4-7,11H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyIFQCALLYOMXQIK-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromophenyl)-2-(cyclopropylmethoxy)-2-methylpropanoic 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

3-(4-bromophenyl)-2-methyl-2-propoxypropanoic acid
CID 67305906
3-(4-bromophenyl)-2-methyl-2-phenylmethoxypropanoic acid
CID 67305553
(2S)-3-(4-bromophenyl)-2-methyl-2-phenylmethoxypropanoic acid
CID 67304966
(2S)-3-(4-bromophenyl)-2-(cyclopropylmethoxy)propanoic acid
CID 68527920
3-(4-bromophenyl)-2-[cyclopropyl(formyl)amino]-2-methylpropanoic acid
CID 114081345
2-[(4-bromophenyl)methyl]-2-methylbut-3-enoic acid
CID 102639410
2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid
CID 114990567
2-[(4-bromophenyl)methoxy]-3-methoxy-2-methyl-3-oxopropanoic acid
CID 58354452
[1-(4-bromophenyl)-2-methylpropan-2-yl] acetate
CID 154708023
4-(4-bromophenyl)-3-hydroxy-3-methylbutanoic acid
CID 82488625
2-(3-hydroxypropoxy)-2-methyl-3-phenylpropanoic acid
CID 103377988
2-bromo-3-[4-(2-bromo-2-carboxypropyl)phenyl]-2-methylpropanoic acid
CID 170340891

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-(cyclopropylmethoxy)-2-methylpropanoic acid?
The IUPAC name of 3-(4-bromophenyl)-2-(cyclopropylmethoxy)-2-methylpropanoic acid (CID 67304707) is 3-(4-bromophenyl)-2-(cyclopropylmethoxy)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-bromophenyl)-2-(cyclopropylmethoxy)-2-methylpropanoic acid?
The canonical SMILES for 3-(4-bromophenyl)-2-(cyclopropylmethoxy)-2-methylpropanoic acid is CC(Cc1ccc(Br)cc1)(OCC1CC1)C(=O)O.
What is the InChIKey of 3-(4-bromophenyl)-2-(cyclopropylmethoxy)-2-methylpropanoic acid?
The InChIKey is IFQCALLYOMXQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO3/c1-14(13(16)17,18-9-11-2-3-11)8-10-4-6-12(15)7-5-10/h4-7,11H,2-3,8-9H2,1H3,(H,16,17).
What are the key properties of 3-(4-bromophenyl)-2-(cyclopropylmethoxy)-2-methylpropanoic acid?
3-(4-bromophenyl)-2-(cyclopropylmethoxy)-2-methylpropanoic acid has a molecular weight of 313.19 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-(cyclopropylmethoxy)-2-methylpropanoic acid is sourced from PubChem (CID 67304707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).