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

C11H11BrO3 — CID 84809237

IUPAC2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2cc(O)ccc2Br)CC1
InChIInChI=1S/C11H11BrO3/c12-9-2-1-7(13)5-8(9)11(3-4-11)6-10(14)15/h1-2,5,13H,3-4,6H2,(H,14,15)
InChIKeyGBNPAQZVHNQUOU-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.66
Rot. Bonds3

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

2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid (PubChem CID 84809237) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is 2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid
PubChem CID84809237
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Name2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2cc(O)ccc2Br)CC1
InChIInChI=1S/C11H11BrO3/c12-9-2-1-7(13)5-8(9)11(3-4-11)6-10(14)15/h1-2,5,13H,3-4,6H2,(H,14,15)
InChIKeyGBNPAQZVHNQUOU-UHFFFAOYSA-N
XLogP2.66
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-chloro-5-hydroxy-3-methylphenyl)cyclopropyl]acetic acid
CID 84800621
2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid
CID 84812580
2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid
CID 117462835
2-[1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropyl]acetic acid
CID 117481526
2-[1-(2-hydroxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 84796918
2-[1-[5-bromo-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117481724
2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid
CID 84808527
2-(2-bromo-5-hydroxyphenyl)acetic acid
CID 57257821
4-bromo-3-(1-hydroxycyclopentyl)phenol
CID 117104137
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
2-[1-[5-(dimethylamino)-2-hydroxyphenyl]cyclopropyl]acetic acid
CID 117342168
2-[1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopropyl]acetic acid
CID 84813246

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid (CID 84809237) is 2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid is O=C(O)CC1(c2cc(O)ccc2Br)CC1.
What is the InChIKey of 2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid?
The InChIKey is GBNPAQZVHNQUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c12-9-2-1-7(13)5-8(9)11(3-4-11)6-10(14)15/h1-2,5,13H,3-4,6H2,(H,14,15).
What are the key properties of 2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid?
2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid has a molecular weight of 271.11 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 84809237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).