1-[2-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid

C14H18O2 — CID 105425261

IUPAC1-[2-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCC(C)Cc1ccccc1C1(C(=O)O)CC1
InChIInChI=1S/C14H18O2/c1-10(2)9-11-5-3-4-6-12(11)14(7-8-14)13(15)16/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyYMKRTRUFYRVIGM-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.00
Rot. Bonds4

About 1-[2-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid

1-[2-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 105425261) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[2-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID105425261
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-[2-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCC(C)Cc1ccccc1C1(C(=O)O)CC1
InChIInChI=1S/C14H18O2/c1-10(2)9-11-5-3-4-6-12(11)14(7-8-14)13(15)16/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyYMKRTRUFYRVIGM-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid (CID 105425261) is 1-[2-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid is CC(C)Cc1ccccc1C1(C(=O)O)CC1.
What is the InChIKey of 1-[2-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is YMKRTRUFYRVIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10(2)9-11-5-3-4-6-12(11)14(7-8-14)13(15)16/h3-6,10H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 1-[2-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid?
1-[2-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 218.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 105425261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).