2-(4-butylphenyl)-2-cyclopropylacetic acid

C15H20O2 — CID 112508140

IUPAC2-(4-butylphenyl)-2-cyclopropylacetic acid
SMILESCCCCc1ccc(C(C(=O)O)C2CC2)cc1
InChIInChI=1S/C15H20O2/c1-2-3-4-11-5-7-12(8-6-11)14(15(16)17)13-9-10-13/h5-8,13-14H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyXUFSVHNVPVRZNB-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.61
Rot. Bonds6

About 2-(4-butylphenyl)-2-cyclopropylacetic acid

2-(4-butylphenyl)-2-cyclopropylacetic acid (PubChem CID 112508140) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(4-butylphenyl)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(4-butylphenyl)-2-cyclopropylacetic acid
PubChem CID112508140
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-(4-butylphenyl)-2-cyclopropylacetic acid
SMILESCCCCc1ccc(C(C(=O)O)C2CC2)cc1
InChIInChI=1S/C15H20O2/c1-2-3-4-11-5-7-12(8-6-11)14(15(16)17)13-9-10-13/h5-8,13-14H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyXUFSVHNVPVRZNB-UHFFFAOYSA-N
XLogP3.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-2-(4-butylphenyl)acetic acid
CID 122539824
(4-butylphenyl)-cyclopropylmethanamine
CID 5034809
2-(4-butylphenyl)-2-cyclopropylacetaldehyde
CID 112507846
2-butyl-3-[[4-[carboxy(cyclopentyl)methyl]phenyl]methyl]-5-chloroimidazole-4-carboxylic acid
CID 19072532
2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid
CID 82484792
2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol
CID 63294725
2-(4-butylphenyl)propanamide
CID 90926449
2-[1-(4-butylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681152
(2S)-3-(4-butylphenyl)-2-piperidin-1-ylpropanoic acid
CID 100553874
4-butylbenzoic acid;zinc
CID 175174767
CID 69445910
CID 69445910
bis(4-butylphenyl)methylphosphane
CID 90110025

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-2-cyclopropylacetic acid?
The IUPAC name of 2-(4-butylphenyl)-2-cyclopropylacetic acid (CID 112508140) is 2-(4-butylphenyl)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(4-butylphenyl)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(4-butylphenyl)-2-cyclopropylacetic acid is CCCCc1ccc(C(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-2-cyclopropylacetic acid?
The InChIKey is XUFSVHNVPVRZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-3-4-11-5-7-12(8-6-11)14(15(16)17)13-9-10-13/h5-8,13-14H,2-4,9-10H2,1H3,(H,16,17).
What are the key properties of 2-(4-butylphenyl)-2-cyclopropylacetic acid?
2-(4-butylphenyl)-2-cyclopropylacetic acid has a molecular weight of 232.32 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-2-cyclopropylacetic acid is sourced from PubChem (CID 112508140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).