4-(furan-2-ylmethyl)azepan-4-ol

C11H17NO2 — CID 83685704

IUPAC4-(furan-2-ylmethyl)azepan-4-ol
SMILESOC1(Cc2ccco2)CCCNCC1
InChIInChI=1S/C11H17NO2/c13-11(4-2-6-12-7-5-11)9-10-3-1-8-14-10/h1,3,8,12-13H,2,4-7,9H2
InChIKeyKFHKWMINBKWRRV-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.33
Rot. Bonds2

About 4-(furan-2-ylmethyl)azepan-4-ol

4-(furan-2-ylmethyl)azepan-4-ol (PubChem CID 83685704) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-(furan-2-ylmethyl)azepan-4-ol.

Molecular Properties

Compound Name4-(furan-2-ylmethyl)azepan-4-ol
PubChem CID83685704
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-(furan-2-ylmethyl)azepan-4-ol
SMILESOC1(Cc2ccco2)CCCNCC1
InChIInChI=1S/C11H17NO2/c13-11(4-2-6-12-7-5-11)9-10-3-1-8-14-10/h1,3,8,12-13H,2,4-7,9H2
InChIKeyKFHKWMINBKWRRV-UHFFFAOYSA-N
XLogP1.33
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-2-ylmethylsulfanylmethyl)piperidin-4-ol
CID 81041028
4-(furan-2-ylmethyl)-1-phenylpiperidin-4-ol
CID 106820831
4-[(5-chlorothiophen-2-yl)methyl]azepan-4-ol
CID 103982903
4-[(2,3-difluorophenyl)methyl]azepan-4-ol
CID 103982867
1-(furan-2-ylmethyl)-4-propylcyclohexan-1-ol
CID 83171205
1-(furan-2-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 83171605
2-(furan-2-ylmethyl)-2-propan-2-ylpyrrolidine
CID 83174870
2-[[1-(chloromethyl)cyclopropyl]methyl]furan
CID 66033762
4-(1,3-benzothiazol-2-ylmethyl)azepan-4-ol
CID 103982930
4-(furan-2-ylmethyl)piperidine
CID 83480581
4-[(3-chloro-4-fluorophenyl)methyl]azepan-4-ol
CID 103039159
3-(chloromethyl)-3-(furan-2-ylmethyl)oxane
CID 66036401

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethyl)azepan-4-ol?
The IUPAC name of 4-(furan-2-ylmethyl)azepan-4-ol (CID 83685704) is 4-(furan-2-ylmethyl)azepan-4-ol.
What is the SMILES notation for 4-(furan-2-ylmethyl)azepan-4-ol?
The canonical SMILES for 4-(furan-2-ylmethyl)azepan-4-ol is OC1(Cc2ccco2)CCCNCC1.
What is the InChIKey of 4-(furan-2-ylmethyl)azepan-4-ol?
The InChIKey is KFHKWMINBKWRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-11(4-2-6-12-7-5-11)9-10-3-1-8-14-10/h1,3,8,12-13H,2,4-7,9H2.
What are the key properties of 4-(furan-2-ylmethyl)azepan-4-ol?
4-(furan-2-ylmethyl)azepan-4-ol has a molecular weight of 195.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethyl)azepan-4-ol is sourced from PubChem (CID 83685704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).