2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid

C13H16O3 — CID 21190507

IUPAC2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
SMILESCC(C)Oc1ccc(C2CC2C(=O)O)cc1
InChIInChI=1S/C13H16O3/c1-8(2)16-10-5-3-9(4-6-10)11-7-12(11)13(14)15/h3-6,8,11-12H,7H2,1-2H3,(H,14,15)
InChIKeyFGTVHQATJKATCU-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.66
Rot. Bonds4

About 2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid

2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 21190507) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID21190507
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
SMILESCC(C)Oc1ccc(C2CC2C(=O)O)cc1
InChIInChI=1S/C13H16O3/c1-8(2)16-10-5-3-9(4-6-10)11-7-12(11)13(14)15/h3-6,8,11-12H,7H2,1-2H3,(H,14,15)
InChIKeyFGTVHQATJKATCU-UHFFFAOYSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid
CID 39058010
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
cis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132224
trans-(1R,2R)-2-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid
CID 94682447
cis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 51888095
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
(1R)-2-(4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 105437337
2-(4-propan-2-ylsulfonylphenyl)cyclopropane-1-carboxylic acid
CID 82487615
2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392545
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
5-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxylic acid
CID 112693390
2-(4-phosphanylphenyl)cyclopropane-1-carboxylic acid
CID 126735709

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid (CID 21190507) is 2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid is CC(C)Oc1ccc(C2CC2C(=O)O)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is FGTVHQATJKATCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-8(2)16-10-5-3-9(4-6-10)11-7-12(11)13(14)15/h3-6,8,11-12H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid?
2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 21190507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).