2-(furan-3-yl)cyclohexane-1-carboxylic acid

C11H14O3 — CID 81009408

IUPAC2-(furan-3-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1c1ccoc1
InChIInChI=1S/C11H14O3/c12-11(13)10-4-2-1-3-9(10)8-5-6-14-7-8/h5-7,9-10H,1-4H2,(H,12,13)
InChIKeyQRDSERQQYCXXHF-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.64
Rot. Bonds2

About 2-(furan-3-yl)cyclohexane-1-carboxylic acid

2-(furan-3-yl)cyclohexane-1-carboxylic acid (PubChem CID 81009408) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(furan-3-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(furan-3-yl)cyclohexane-1-carboxylic acid
PubChem CID81009408
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(furan-3-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1c1ccoc1
InChIInChI=1S/C11H14O3/c12-11(13)10-4-2-1-3-9(10)8-5-6-14-7-8/h5-7,9-10H,1-4H2,(H,12,13)
InChIKeyQRDSERQQYCXXHF-UHFFFAOYSA-N
XLogP2.64
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(furan-3-yl)cyclohexane-1-carboxylic acid (CID 81009408) is 2-(furan-3-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(furan-3-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(furan-3-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1c1ccoc1.
What is the InChIKey of 2-(furan-3-yl)cyclohexane-1-carboxylic acid?
The InChIKey is QRDSERQQYCXXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-11(13)10-4-2-1-3-9(10)8-5-6-14-7-8/h5-7,9-10H,1-4H2,(H,12,13).
What are the key properties of 2-(furan-3-yl)cyclohexane-1-carboxylic acid?
2-(furan-3-yl)cyclohexane-1-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81009408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).