2-[1-[5-bromo-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid

C13H15BrO3 — CID 117481724

IUPAC2-[1-[5-bromo-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
SMILESCOCc1ccc(Br)cc1C1(CC(=O)O)CC1
InChIInChI=1S/C13H15BrO3/c1-17-8-9-2-3-10(14)6-11(9)13(4-5-13)7-12(15)16/h2-3,6H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyDYUVSWZAOXOGAR-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.10
Rot. Bonds5

About 2-[1-[5-bromo-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid

2-[1-[5-bromo-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid (PubChem CID 117481724) has the molecular formula C13H15BrO3 and a molecular weight of 299.16 g/mol. Its IUPAC name is 2-[1-[5-bromo-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[5-bromo-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
PubChem CID117481724
Molecular FormulaC13H15BrO3
Molecular Weight299.16 g/mol
Exact Mass298.02
IUPAC Name2-[1-[5-bromo-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
SMILESCOCc1ccc(Br)cc1C1(CC(=O)O)CC1
InChIInChI=1S/C13H15BrO3/c1-17-8-9-2-3-10(14)6-11(9)13(4-5-13)7-12(15)16/h2-3,6H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyDYUVSWZAOXOGAR-UHFFFAOYSA-N
XLogP3.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787394
1-[5-bromo-2-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117481795
2-[1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449949
2-[1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449952
2-[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropyl]acetic acid
CID 117445927
2-[1-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117424192
2-[1-[2-hydroxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117344690
2-[1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449948
2-[1-[3-chloro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117389821
2-[1-[2,3-dimethoxy-6-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449947
2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid
CID 84809237
2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787396

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-bromo-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[5-bromo-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid (CID 117481724) is 2-[1-[5-bromo-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[5-bromo-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[5-bromo-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid is COCc1ccc(Br)cc1C1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[5-bromo-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid?
The InChIKey is DYUVSWZAOXOGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO3/c1-17-8-9-2-3-10(14)6-11(9)13(4-5-13)7-12(15)16/h2-3,6H,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of 2-[1-[5-bromo-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid?
2-[1-[5-bromo-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid has a molecular weight of 299.16 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-bromo-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 117481724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).