2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid

C15H19BrO3 — CID 113303039

IUPAC2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
SMILESCC(C)c1cc(Br)ccc1OCC1(CC(=O)O)CC1
InChIInChI=1S/C15H19BrO3/c1-10(2)12-7-11(16)3-4-13(12)19-9-15(5-6-15)8-14(17)18/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyCDZQOCKASBADMH-UHFFFAOYSA-N
MW327.22 g/mol
LogP4.21
Rot. Bonds6

About 2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid

2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid (PubChem CID 113303039) has the molecular formula C15H19BrO3 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
PubChem CID113303039
Molecular FormulaC15H19BrO3
Molecular Weight327.22 g/mol
Exact Mass326.05
IUPAC Name2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
SMILESCC(C)c1cc(Br)ccc1OCC1(CC(=O)O)CC1
InChIInChI=1S/C15H19BrO3/c1-10(2)12-7-11(16)3-4-13(12)19-9-15(5-6-15)8-14(17)18/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyCDZQOCKASBADMH-UHFFFAOYSA-N
XLogP4.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic 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-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclobutyl]methanethiol
CID 113303065
2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
CID 65498695
[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cycloheptyl]methanethiol
CID 115403065
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid
CID 65498468
1-[[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004930
2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid
CID 65498044
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 17188857
3-(4-bromo-2-propan-2-ylphenoxy)propanamide
CID 115401946
2-[1-[(3-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
CID 65498253
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 115401934
N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid (CID 113303039) is 2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid is CC(C)c1cc(Br)ccc1OCC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid?
The InChIKey is CDZQOCKASBADMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO3/c1-10(2)12-7-11(16)3-4-13(12)19-9-15(5-6-15)8-14(17)18/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid?
2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid has a molecular weight of 327.22 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 113303039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).