2-(furan-2-ylmethoxy)cycloheptane-1-carboxylic acid

C13H18O4 — CID 114990570

IUPAC2-(furan-2-ylmethoxy)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1CCCCCC1OCc1ccco1
InChIInChI=1S/C13H18O4/c14-13(15)11-6-2-1-3-7-12(11)17-9-10-5-4-8-16-10/h4-5,8,11-12H,1-3,6-7,9H2,(H,14,15)
InChIKeyJEUQGTKBNNBRLP-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.83
Rot. Bonds4

About 2-(furan-2-ylmethoxy)cycloheptane-1-carboxylic acid

2-(furan-2-ylmethoxy)cycloheptane-1-carboxylic acid (PubChem CID 114990570) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(furan-2-ylmethoxy)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-ylmethoxy)cycloheptane-1-carboxylic acid
PubChem CID114990570
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-(furan-2-ylmethoxy)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1CCCCCC1OCc1ccco1
InChIInChI=1S/C13H18O4/c14-13(15)11-6-2-1-3-7-12(11)17-9-10-5-4-8-16-10/h4-5,8,11-12H,1-3,6-7,9H2,(H,14,15)
InChIKeyJEUQGTKBNNBRLP-UHFFFAOYSA-N
XLogP2.83
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-ylmethoxy)cycloheptane-1-carbonitrile
CID 43292120
2-(cyclopentyloxymethyl)furan
CID 57019215
cis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 51556928
cis-(1R,2S)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 51440657
2-[2-(furan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 54867947
2-[cyclopropyl(furan-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 63074561
2-(furan-2-ylmethyl)-1-methylpyrrolidine-3-carboxylic acid
CID 112710160
(2R,3R)-1-[3-(furan-2-yl)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116502
2-(3-hydroxypropoxy)cycloheptane-1-carboxylic acid
CID 114989146
1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid
CID 117003684
2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 64813064
3-(furan-2-ylmethoxy)cyclohexan-1-one
CID 79619136

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethoxy)cycloheptane-1-carboxylic acid?
The IUPAC name of 2-(furan-2-ylmethoxy)cycloheptane-1-carboxylic acid (CID 114990570) is 2-(furan-2-ylmethoxy)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-(furan-2-ylmethoxy)cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-(furan-2-ylmethoxy)cycloheptane-1-carboxylic acid is O=C(O)C1CCCCCC1OCc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethoxy)cycloheptane-1-carboxylic acid?
The InChIKey is JEUQGTKBNNBRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c14-13(15)11-6-2-1-3-7-12(11)17-9-10-5-4-8-16-10/h4-5,8,11-12H,1-3,6-7,9H2,(H,14,15).
What are the key properties of 2-(furan-2-ylmethoxy)cycloheptane-1-carboxylic acid?
2-(furan-2-ylmethoxy)cycloheptane-1-carboxylic acid has a molecular weight of 238.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethoxy)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 114990570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).