2-[1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopropyl]acetic acid

C12H13BrO3 — CID 84813246

IUPAC2-[1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopropyl]acetic acid
SMILESCc1c(O)cc(C2(CC(=O)O)CC2)cc1Br
InChIInChI=1S/C12H13BrO3/c1-7-9(13)4-8(5-10(7)14)12(2-3-12)6-11(15)16/h4-5,14H,2-3,6H2,1H3,(H,15,16)
InChIKeyUQIXCGOLFQGPRU-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.97
Rot. Bonds3

About 2-[1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopropyl]acetic acid

2-[1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopropyl]acetic acid (PubChem CID 84813246) has the molecular formula C12H13BrO3 and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-[1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopropyl]acetic acid
PubChem CID84813246
Molecular FormulaC12H13BrO3
Molecular Weight285.14 g/mol
Exact Mass284.00
IUPAC Name2-[1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopropyl]acetic acid
SMILESCc1c(O)cc(C2(CC(=O)O)CC2)cc1Br
InChIInChI=1S/C12H13BrO3/c1-7-9(13)4-8(5-10(7)14)12(2-3-12)6-11(15)16/h4-5,14H,2-3,6H2,1H3,(H,15,16)
InChIKeyUQIXCGOLFQGPRU-UHFFFAOYSA-N
XLogP2.97
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-bromo-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid
CID 84816122
2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid
CID 84808527
2-[1-(4-bromo-2-hydroxy-3,6-dimethylphenyl)cyclopropyl]acetic acid
CID 84816126
1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopentane-1-carboxylic acid
CID 117481833
2-[1-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]acetic acid
CID 117495961
2-[1-(3-bromo-5-fluoro-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117487851
2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid
CID 84812580
2-[1-[3-bromo-4-(fluoromethyl)phenyl]cyclopropyl]acetic acid
CID 84813903
2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid
CID 84809237
2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid
CID 117462835
ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid
CID 170751280
2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopropyl]acetic acid (CID 84813246) is 2-[1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopropyl]acetic acid is Cc1c(O)cc(C2(CC(=O)O)CC2)cc1Br.
What is the InChIKey of 2-[1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopropyl]acetic acid?
The InChIKey is UQIXCGOLFQGPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO3/c1-7-9(13)4-8(5-10(7)14)12(2-3-12)6-11(15)16/h4-5,14H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 2-[1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopropyl]acetic acid?
2-[1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopropyl]acetic acid has a molecular weight of 285.14 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 84813246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).