[4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol

C14H19NO4 — CID 106825310

IUPAC[4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol
SMILESO=[N+]([O-])c1cccc(COC2CCC(CO)CC2)c1
InChIInChI=1S/C14H19NO4/c16-9-11-4-6-14(7-5-11)19-10-12-2-1-3-13(8-12)15(17)18/h1-3,8,11,14,16H,4-7,9-10H2
InChIKeyCUXCIGLTVYSHDH-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.66
Rot. Bonds5

About [4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol

[4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol (PubChem CID 106825310) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol
PubChem CID106825310
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol
SMILESO=[N+]([O-])c1cccc(COC2CCC(CO)CC2)c1
InChIInChI=1S/C14H19NO4/c16-9-11-4-6-14(7-5-11)19-10-12-2-1-3-13(8-12)15(17)18/h1-3,8,11,14,16H,4-7,9-10H2
InChIKeyCUXCIGLTVYSHDH-UHFFFAOYSA-N
XLogP2.66
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(cyclohexyloxymethyl)-3-nitrobenzene
CID 11264832
[4-[(3-fluoro-4-nitrophenyl)methoxy]cyclohexyl]methanol
CID 106825550
3-[(3-nitrophenyl)methoxy]pyrrolidine
CID 18388249
[4-[(5-nitrofuran-2-yl)methoxy]cyclohexyl]methanol
CID 106825517
1-(cyclopropyloxymethyl)-4-nitrobenzene
CID 171836486
2-[(3-nitrophenyl)methoxy]oxane
CID 10955574
(4-methylphenyl)-[3-[(3-nitrophenyl)methoxy]piperidin-1-yl]methanone
CID 46028932
1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290
1-cyclopropyl-2-(3-nitrophenyl)ethanone
CID 147564014
1-O-(cyclohexylmethyl) 5-O-[(3-nitrophenyl)methyl] pentanedioate
CID 91707913
N-(4-methoxycyclohexyl)-N-methyl-3-(3-nitrophenyl)propanamide
CID 75361793
3-[(3-nitrophenyl)methoxy]propane-1,2-diol
CID 56629531

Frequently Asked Questions

What is the IUPAC name of [4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol?
The IUPAC name of [4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol (CID 106825310) is [4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol.
What is the SMILES notation for [4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol?
The canonical SMILES for [4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol is O=[N+]([O-])c1cccc(COC2CCC(CO)CC2)c1.
What is the InChIKey of [4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol?
The InChIKey is CUXCIGLTVYSHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c16-9-11-4-6-14(7-5-11)19-10-12-2-1-3-13(8-12)15(17)18/h1-3,8,11,14,16H,4-7,9-10H2.
What are the key properties of [4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol?
[4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol has a molecular weight of 265.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol is sourced from PubChem (CID 106825310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).