[4-[(5-nitrofuran-2-yl)methoxy]cyclohexyl]methanol

C12H17NO5 — CID 106825517

IUPAC[4-[(5-nitrofuran-2-yl)methoxy]cyclohexyl]methanol
SMILESO=[N+]([O-])c1ccc(COC2CCC(CO)CC2)o1
InChIInChI=1S/C12H17NO5/c14-7-9-1-3-10(4-2-9)17-8-11-5-6-12(18-11)13(15)16/h5-6,9-10,14H,1-4,7-8H2
InChIKeyWDQBMTGRPNKWRS-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.26
Rot. Bonds5

About [4-[(5-nitrofuran-2-yl)methoxy]cyclohexyl]methanol

[4-[(5-nitrofuran-2-yl)methoxy]cyclohexyl]methanol (PubChem CID 106825517) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is [4-[(5-nitrofuran-2-yl)methoxy]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(5-nitrofuran-2-yl)methoxy]cyclohexyl]methanol
PubChem CID106825517
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name[4-[(5-nitrofuran-2-yl)methoxy]cyclohexyl]methanol
SMILESO=[N+]([O-])c1ccc(COC2CCC(CO)CC2)o1
InChIInChI=1S/C12H17NO5/c14-7-9-1-3-10(4-2-9)17-8-11-5-6-12(18-11)13(15)16/h5-6,9-10,14H,1-4,7-8H2
InChIKeyWDQBMTGRPNKWRS-UHFFFAOYSA-N
XLogP2.26
TPSA85.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol
CID 106825310
bis[(5-nitrofuran-2-yl)methyl] carbonate
CID 175203098
O-[(5-nitrofuran-2-yl)methyl]hydroxylamine
CID 79427799
[4-[(3-fluoro-4-nitrophenyl)methoxy]cyclohexyl]methanol
CID 106825550
2-nitro-5-[[(5-nitrofuran-2-yl)methoxy-propan-2-ylphosphoryl]oxymethyl]furan
CID 129013384
1-(cyclopropyloxymethyl)-4-nitrobenzene
CID 171836486
3-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]piperidine
CID 62357016
(5-nitrofuran-2-yl)methanamine
CID 13211642
N,N-bis(2-bromoethyl)-[(5-nitrofuran-2-yl)methoxy]phosphonamidic acid
CID 54309944
4-methoxy-2-[(5-nitrofuran-2-yl)methylamino]butan-1-ol
CID 114210444
[4-(1,2,4-oxadiazol-3-ylmethoxy)cyclohexyl]methanol
CID 106825527
1-[(5-nitrofuran-2-yl)methyl]azetidin-3-ol
CID 63282386

Frequently Asked Questions

What is the IUPAC name of [4-[(5-nitrofuran-2-yl)methoxy]cyclohexyl]methanol?
The IUPAC name of [4-[(5-nitrofuran-2-yl)methoxy]cyclohexyl]methanol (CID 106825517) is [4-[(5-nitrofuran-2-yl)methoxy]cyclohexyl]methanol.
What is the SMILES notation for [4-[(5-nitrofuran-2-yl)methoxy]cyclohexyl]methanol?
The canonical SMILES for [4-[(5-nitrofuran-2-yl)methoxy]cyclohexyl]methanol is O=[N+]([O-])c1ccc(COC2CCC(CO)CC2)o1.
What is the InChIKey of [4-[(5-nitrofuran-2-yl)methoxy]cyclohexyl]methanol?
The InChIKey is WDQBMTGRPNKWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c14-7-9-1-3-10(4-2-9)17-8-11-5-6-12(18-11)13(15)16/h5-6,9-10,14H,1-4,7-8H2.
What are the key properties of [4-[(5-nitrofuran-2-yl)methoxy]cyclohexyl]methanol?
[4-[(5-nitrofuran-2-yl)methoxy]cyclohexyl]methanol has a molecular weight of 255.27 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-nitrofuran-2-yl)methoxy]cyclohexyl]methanol is sourced from PubChem (CID 106825517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).