2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylic acid

C17H24O2 — CID 83928800

IUPAC2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylic acid
SMILESCC(CC1CC1C(=O)O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H24O2/c1-11(9-13-10-15(13)16(18)19)12-5-7-14(8-6-12)17(2,3)4/h5-8,11,13,15H,9-10H2,1-4H3,(H,18,19)
InChIKeyVPAWBTHAUOACCV-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.20
Rot. Bonds4

About 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylic acid

2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylic acid (PubChem CID 83928800) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylic acid
PubChem CID83928800
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylic acid
SMILESCC(CC1CC1C(=O)O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H24O2/c1-11(9-13-10-15(13)16(18)19)12-5-7-14(8-6-12)17(2,3)4/h5-8,11,13,15H,9-10H2,1-4H3,(H,18,19)
InChIKeyVPAWBTHAUOACCV-UHFFFAOYSA-N
XLogP4.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate
CID 83928797
2-[2-(4-propylsulfanylphenyl)propyl]cyclopropane-1-carboxylic acid
CID 83935803
2-[(4-tert-butylphenoxy)methyl]cyclopropane-1-carboxylic acid
CID 112547454
2-(2-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid
CID 83934845
methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83930458
trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid
CID 94420067
methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate
CID 83931003
2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid
CID 83936147
2-[2-(4-tert-butylphenyl)propyl]-3-ethyloxirane
CID 83928775
methyl 2-[2-(5-tert-butyl-2-methylphenyl)propyl]cyclopropane-1-carboxylate
CID 83935426
N-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47161890
methyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate
CID 83927264

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylic acid (CID 83928800) is 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylic acid is CC(CC1CC1C(=O)O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylic acid?
The InChIKey is VPAWBTHAUOACCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-11(9-13-10-15(13)16(18)19)12-5-7-14(8-6-12)17(2,3)4/h5-8,11,13,15H,9-10H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylic acid?
2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylic acid has a molecular weight of 260.38 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83928800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).