1-(4-propan-2-ylphenyl)-3-propylcyclobutane-1-carboxylic acid

C17H24O2 — CID 65013921

IUPAC1-(4-propan-2-ylphenyl)-3-propylcyclobutane-1-carboxylic acid
SMILESCCCC1CC(C(=O)O)(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C17H24O2/c1-4-5-13-10-17(11-13,16(18)19)15-8-6-14(7-9-15)12(2)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyLNLUVYFLNADKHI-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.34
Rot. Bonds5

About 1-(4-propan-2-ylphenyl)-3-propylcyclobutane-1-carboxylic acid

1-(4-propan-2-ylphenyl)-3-propylcyclobutane-1-carboxylic acid (PubChem CID 65013921) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-3-propylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-3-propylcyclobutane-1-carboxylic acid
PubChem CID65013921
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-(4-propan-2-ylphenyl)-3-propylcyclobutane-1-carboxylic acid
SMILESCCCC1CC(C(=O)O)(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C17H24O2/c1-4-5-13-10-17(11-13,16(18)19)15-8-6-14(7-9-15)12(2)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyLNLUVYFLNADKHI-UHFFFAOYSA-N
XLogP4.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-3-propylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(4-propan-2-ylphenyl)-3-propylcyclobutane-1-carboxylic acid (CID 65013921) is 1-(4-propan-2-ylphenyl)-3-propylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-3-propylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-3-propylcyclobutane-1-carboxylic acid is CCCC1CC(C(=O)O)(c2ccc(C(C)C)cc2)C1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-3-propylcyclobutane-1-carboxylic acid?
The InChIKey is LNLUVYFLNADKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-4-5-13-10-17(11-13,16(18)19)15-8-6-14(7-9-15)12(2)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,18,19).
What are the key properties of 1-(4-propan-2-ylphenyl)-3-propylcyclobutane-1-carboxylic acid?
1-(4-propan-2-ylphenyl)-3-propylcyclobutane-1-carboxylic acid has a molecular weight of 260.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-3-propylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 65013921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).