2-[2-(5-bromo-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylic acid

C15H19BrO3 — CID 83934033

IUPAC2-[2-(5-bromo-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylic acid
SMILESCCCOc1ccc(Br)cc1CCC1CC1C(=O)O
InChIInChI=1S/C15H19BrO3/c1-2-7-19-14-6-5-12(16)8-11(14)4-3-10-9-13(10)15(17)18/h5-6,8,10,13H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyZQJVAQYEWWIQFN-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.89
Rot. Bonds7

About 2-[2-(5-bromo-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylic acid

2-[2-(5-bromo-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylic acid (PubChem CID 83934033) has the molecular formula C15H19BrO3 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(5-bromo-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylic acid
PubChem CID83934033
Molecular FormulaC15H19BrO3
Molecular Weight327.22 g/mol
Exact Mass326.05
IUPAC Name2-[2-(5-bromo-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylic acid
SMILESCCCOc1ccc(Br)cc1CCC1CC1C(=O)O
InChIInChI=1S/C15H19BrO3/c1-2-7-19-14-6-5-12(16)8-11(14)4-3-10-9-13(10)15(17)18/h5-6,8,10,13H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyZQJVAQYEWWIQFN-UHFFFAOYSA-N
XLogP3.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
CID 83921264
N-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 113227437
2-[2-(4-ethoxy-2-ethylphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83941765
N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 114544000
methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83938540
2-[[3-[(5-bromo-2-propoxyphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042577
3-(3-bromo-4-propoxybenzoyl)cyclopentane-1-carboxylic acid
CID 103551813
(5-bromo-2-propoxyphenyl)methanesulfonyl chloride
CID 165446942
2-[2-(2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83928194
2-[[(5-bromo-2-propoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64929093
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
N-[(5-bromo-2-propoxyphenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295157

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(5-bromo-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylic acid (CID 83934033) is 2-[2-(5-bromo-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(5-bromo-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(5-bromo-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylic acid is CCCOc1ccc(Br)cc1CCC1CC1C(=O)O.
What is the InChIKey of 2-[2-(5-bromo-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZQJVAQYEWWIQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO3/c1-2-7-19-14-6-5-12(16)8-11(14)4-3-10-9-13(10)15(17)18/h5-6,8,10,13H,2-4,7,9H2,1H3,(H,17,18).
What are the key properties of 2-[2-(5-bromo-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylic acid?
2-[2-(5-bromo-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 327.22 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83934033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).