2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid

C14H18O2 — CID 83930911

IUPAC2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(CC(C)C2CC2C(=O)O)cc1
InChIInChI=1S/C14H18O2/c1-9-3-5-11(6-4-9)7-10(2)12-8-13(12)14(15)16/h3-6,10,12-13H,7-8H2,1-2H3,(H,15,16)
InChIKeySHEOKJOPNJPMAP-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.89
Rot. Bonds4

About 2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid

2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid (PubChem CID 83930911) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
PubChem CID83930911
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(CC(C)C2CC2C(=O)O)cc1
InChIInChI=1S/C14H18O2/c1-9-3-5-11(6-4-9)7-10(2)12-8-13(12)14(15)16/h3-6,10,12-13H,7-8H2,1-2H3,(H,15,16)
InChIKeySHEOKJOPNJPMAP-UHFFFAOYSA-N
XLogP2.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(2,4-dimethylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928092
2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928902
2-[1-(4-hexoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83932772
2-[1-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928582
2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83925000
2-[1-(2-hydroxy-6-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83923837
2-[1-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928708
2-[1-(2,5-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83931438
2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 112718318
trans-(1R,2R)-2-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid
CID 94682447
2-[1-(2-methyl-4-phenoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83937325
2-[methyl-[(4-methylphenyl)methyl]amino]cyclopropane-1-carboxylic acid
CID 117042658

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid (CID 83930911) is 2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid is Cc1ccc(CC(C)C2CC2C(=O)O)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The InChIKey is SHEOKJOPNJPMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-9-3-5-11(6-4-9)7-10(2)12-8-13(12)14(15)16/h3-6,10,12-13H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid has a molecular weight of 218.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83930911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).