1-(3-bromo-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid

C13H15BrO2 — CID 84812607

IUPAC1-(3-bromo-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
SMILESCC(C)c1cc(Br)cc(C2(C(=O)O)CC2)c1
InChIInChI=1S/C13H15BrO2/c1-8(2)9-5-10(7-11(14)6-9)13(3-4-13)12(15)16/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyAMPRPEQOOHMKKM-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.69
Rot. Bonds3

About 1-(3-bromo-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid

1-(3-bromo-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 84812607) has the molecular formula C13H15BrO2 and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-(3-bromo-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromo-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
PubChem CID84812607
Molecular FormulaC13H15BrO2
Molecular Weight283.17 g/mol
Exact Mass282.03
IUPAC Name1-(3-bromo-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
SMILESCC(C)c1cc(Br)cc(C2(C(=O)O)CC2)c1
InChIInChI=1S/C13H15BrO2/c1-8(2)9-5-10(7-11(14)6-9)13(3-4-13)12(15)16/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyAMPRPEQOOHMKKM-UHFFFAOYSA-N
XLogP3.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-5-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 84798152
1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 84811106
3-bromo-5-propan-2-ylbenzoyl chloride;1,3-dibromo-5-propan-2-ylbenzene
CID 160659655
1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 117430241
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
3,3-difluoro-1-phenylcyclopentane-1-carboxylic acid
CID 105483674
1-(3-phenyl-4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
CID 117450257
1-(5-propan-2-yl-2-pyridinyl)cyclopropane-1-carboxylic acid
CID 115009111
2-bromo-1-(3-bromo-5-propan-2-ylphenyl)ethanone
CID 137347192
1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 83731582
1-ethyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxylic acid
CID 95478207
1-(3-bromo-2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)cyclopropane-1-carboxylic acid
CID 116983693

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-bromo-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid (CID 84812607) is 1-(3-bromo-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-bromo-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-bromo-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid is CC(C)c1cc(Br)cc(C2(C(=O)O)CC2)c1.
What is the InChIKey of 1-(3-bromo-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is AMPRPEQOOHMKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c1-8(2)9-5-10(7-11(14)6-9)13(3-4-13)12(15)16/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 1-(3-bromo-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid?
1-(3-bromo-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 283.17 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84812607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).