3,3-diphenylcyclopentane-1-carboxylic acid

C18H18O2 — CID 21330958

IUPAC3,3-diphenylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C18H18O2/c19-17(20)14-11-12-18(13-14,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,19,20)
InChIKeyUUPWOIDIHLBXDX-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.86
Rot. Bonds3

About 3,3-diphenylcyclopentane-1-carboxylic acid

3,3-diphenylcyclopentane-1-carboxylic acid (PubChem CID 21330958) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3,3-diphenylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3,3-diphenylcyclopentane-1-carboxylic acid
PubChem CID21330958
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name3,3-diphenylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C18H18O2/c19-17(20)14-11-12-18(13-14,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,19,20)
InChIKeyUUPWOIDIHLBXDX-UHFFFAOYSA-N
XLogP3.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-diphenylcyclopentane-1-carboxylic acid?
The IUPAC name of 3,3-diphenylcyclopentane-1-carboxylic acid (CID 21330958) is 3,3-diphenylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3,3-diphenylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3,3-diphenylcyclopentane-1-carboxylic acid is O=C(O)C1CCC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 3,3-diphenylcyclopentane-1-carboxylic acid?
The InChIKey is UUPWOIDIHLBXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-17(20)14-11-12-18(13-14,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,19,20).
What are the key properties of 3,3-diphenylcyclopentane-1-carboxylic acid?
3,3-diphenylcyclopentane-1-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 21330958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).