1-[(4-butan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid

C15H20O2 — CID 116928741

IUPAC1-[(4-butan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid
SMILESCCC(C)c1ccc(CC2(C(=O)O)CC2)cc1
InChIInChI=1S/C15H20O2/c1-3-11(2)13-6-4-12(5-7-13)10-15(8-9-15)14(16)17/h4-7,11H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyHAHULMYAIPIJEK-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.61
Rot. Bonds5

About 1-[(4-butan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid

1-[(4-butan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 116928741) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-[(4-butan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-butan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid
PubChem CID116928741
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-[(4-butan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid
SMILESCCC(C)c1ccc(CC2(C(=O)O)CC2)cc1
InChIInChI=1S/C15H20O2/c1-3-11(2)13-6-4-12(5-7-13)10-15(8-9-15)14(16)17/h4-7,11H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyHAHULMYAIPIJEK-UHFFFAOYSA-N
XLogP3.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

methyl 1-[(4-butan-2-ylphenyl)methyl]cyclobutane-1-carboxylate
CID 116929693
1-benzylcyclopropane-1-carboxylic acid
CID 562561
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 65409274
2-[(4-butan-2-ylphenyl)methyl]butanoic acid
CID 116930604
2-[(4-butan-2-ylphenyl)methylamino]-2-oxoacetic acid
CID 115141302
1-[(4-bromophenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 65393284
1-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115242988
2-(4-butan-2-ylphenyl)sulfanylpropanoic acid
CID 116852395
4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 112745348
2-amino-4-(4-butan-2-ylphenyl)butanoic acid
CID 112511842
5-(4-butan-2-ylphenyl)furan-2-carboxylic acid
CID 63423966
1-[(4-butan-2-ylphenyl)methyl]-3-propylurea
CID 110774875

Frequently Asked Questions

What is the IUPAC name of 1-[(4-butan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(4-butan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid (CID 116928741) is 1-[(4-butan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-butan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(4-butan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid is CCC(C)c1ccc(CC2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[(4-butan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is HAHULMYAIPIJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-11(2)13-6-4-12(5-7-13)10-15(8-9-15)14(16)17/h4-7,11H,3,8-10H2,1-2H3,(H,16,17).
What are the key properties of 1-[(4-butan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid?
1-[(4-butan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 232.32 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116928741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).