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

C12H13BrO2 — CID 84808527

IUPAC2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid
SMILESCc1cc(C2(CC(=O)O)CC2)ccc1Br
InChIInChI=1S/C12H13BrO2/c1-8-6-9(2-3-10(8)13)12(4-5-12)7-11(14)15/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyNVEKHUNYZQEPPZ-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.26
Rot. Bonds3

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

2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid (PubChem CID 84808527) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is 2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid
PubChem CID84808527
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Name2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid
SMILESCc1cc(C2(CC(=O)O)CC2)ccc1Br
InChIInChI=1S/C12H13BrO2/c1-8-6-9(2-3-10(8)13)12(4-5-12)7-11(14)15/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyNVEKHUNYZQEPPZ-UHFFFAOYSA-N
XLogP3.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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-(3-bromo-5-hydroxy-4-methylphenyl)cyclopropyl]acetic acid
CID 84813246
ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid
CID 170751280
2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
2-[1-(3-bromo-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid
CID 84816122
2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107682
2-[1-(4-bromo-2-hydroxy-3,6-dimethylphenyl)cyclopropyl]acetic acid
CID 84816126
2-[1-(3-bromophenyl)cyclopentyl]acetic acid
CID 68971554
2-[1-(2H-benzotriazol-5-yl)cyclopropyl]acetic acid
CID 84785166
2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid
CID 82391155
2-[1-(1,2-dimethylbenzimidazol-5-yl)cyclopropyl]acetic acid
CID 117362592

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid (CID 84808527) is 2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid is Cc1cc(C2(CC(=O)O)CC2)ccc1Br.
What is the InChIKey of 2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid?
The InChIKey is NVEKHUNYZQEPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c1-8-6-9(2-3-10(8)13)12(4-5-12)7-11(14)15/h2-3,6H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid?
2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid has a molecular weight of 269.14 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 84808527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).