1-[4-(oxolan-3-yl)phenyl]cyclopentane-1-carboxylic acid

C16H20O3 — CID 117405018

IUPAC1-[4-(oxolan-3-yl)phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(C3CCOC3)cc2)CCCC1
InChIInChI=1S/C16H20O3/c17-15(18)16(8-1-2-9-16)14-5-3-12(4-6-14)13-7-10-19-11-13/h3-6,13H,1-2,7-11H2,(H,17,18)
InChIKeyGVALNTXEIKKBEU-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.09
Rot. Bonds3

About 1-[4-(oxolan-3-yl)phenyl]cyclopentane-1-carboxylic acid

1-[4-(oxolan-3-yl)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 117405018) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 1-[4-(oxolan-3-yl)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(oxolan-3-yl)phenyl]cyclopentane-1-carboxylic acid
PubChem CID117405018
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name1-[4-(oxolan-3-yl)phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(C3CCOC3)cc2)CCCC1
InChIInChI=1S/C16H20O3/c17-15(18)16(8-1-2-9-16)14-5-3-12(4-6-14)13-7-10-19-11-13/h3-6,13H,1-2,7-11H2,(H,17,18)
InChIKeyGVALNTXEIKKBEU-UHFFFAOYSA-N
XLogP3.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxolan-3-yl)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[4-(oxolan-3-yl)phenyl]cyclopentane-1-carboxylic acid (CID 117405018) is 1-[4-(oxolan-3-yl)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(oxolan-3-yl)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[4-(oxolan-3-yl)phenyl]cyclopentane-1-carboxylic acid is O=C(O)C1(c2ccc(C3CCOC3)cc2)CCCC1.
What is the InChIKey of 1-[4-(oxolan-3-yl)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is GVALNTXEIKKBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c17-15(18)16(8-1-2-9-16)14-5-3-12(4-6-14)13-7-10-19-11-13/h3-6,13H,1-2,7-11H2,(H,17,18).
What are the key properties of 1-[4-(oxolan-3-yl)phenyl]cyclopentane-1-carboxylic acid?
1-[4-(oxolan-3-yl)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 260.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxolan-3-yl)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117405018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).