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

C14H18FNO4 — CID 106825550

IUPAC[4-[(3-fluoro-4-nitrophenyl)methoxy]cyclohexyl]methanol
SMILESO=[N+]([O-])c1ccc(COC2CCC(CO)CC2)cc1F
InChIInChI=1S/C14H18FNO4/c15-13-7-11(3-6-14(13)16(18)19)9-20-12-4-1-10(8-17)2-5-12/h3,6-7,10,12,17H,1-2,4-5,8-9H2
InChIKeyRJJHKSHQDPYTFD-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.80
Rot. Bonds5

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

[4-[(3-fluoro-4-nitrophenyl)methoxy]cyclohexyl]methanol (PubChem CID 106825550) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is [4-[(3-fluoro-4-nitrophenyl)methoxy]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(3-fluoro-4-nitrophenyl)methoxy]cyclohexyl]methanol
PubChem CID106825550
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name[4-[(3-fluoro-4-nitrophenyl)methoxy]cyclohexyl]methanol
SMILESO=[N+]([O-])c1ccc(COC2CCC(CO)CC2)cc1F
InChIInChI=1S/C14H18FNO4/c15-13-7-11(3-6-14(13)16(18)19)9-20-12-4-1-10(8-17)2-5-12/h3,6-7,10,12,17H,1-2,4-5,8-9H2
InChIKeyRJJHKSHQDPYTFD-UHFFFAOYSA-N
XLogP2.80
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.80
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

[4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol
CID 106825310
2-fluoro-5-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzonitrile
CID 107882683
4-(2-cyclopropyloxyethoxy)-2-fluoro-1-nitrobenzene
CID 176909165
[4-[(5-nitrofuran-2-yl)methoxy]cyclohexyl]methanol
CID 106825517
[4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol
CID 106825684
1-(cyclopropyloxymethyl)-4-nitrobenzene
CID 171836486
[4-(4-chloro-2-nitrophenoxy)cyclohexyl]methanol
CID 106825751
3-[2-[(3-fluoro-4-nitrophenyl)methoxy]ethyl]pyrrolidine
CID 114795960
[4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol
CID 106825197
4-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzamide
CID 106825421
4-(cyclohexyloxymethyl)-2-nitroaniline
CID 55044733
4-[(4-bromophenoxy)methyl]-2-fluoro-1-nitrobenzene
CID 79022269

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluoro-4-nitrophenyl)methoxy]cyclohexyl]methanol?
The IUPAC name of [4-[(3-fluoro-4-nitrophenyl)methoxy]cyclohexyl]methanol (CID 106825550) is [4-[(3-fluoro-4-nitrophenyl)methoxy]cyclohexyl]methanol.
What is the SMILES notation for [4-[(3-fluoro-4-nitrophenyl)methoxy]cyclohexyl]methanol?
The canonical SMILES for [4-[(3-fluoro-4-nitrophenyl)methoxy]cyclohexyl]methanol is O=[N+]([O-])c1ccc(COC2CCC(CO)CC2)cc1F.
What is the InChIKey of [4-[(3-fluoro-4-nitrophenyl)methoxy]cyclohexyl]methanol?
The InChIKey is RJJHKSHQDPYTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c15-13-7-11(3-6-14(13)16(18)19)9-20-12-4-1-10(8-17)2-5-12/h3,6-7,10,12,17H,1-2,4-5,8-9H2.
What are the key properties of [4-[(3-fluoro-4-nitrophenyl)methoxy]cyclohexyl]methanol?
[4-[(3-fluoro-4-nitrophenyl)methoxy]cyclohexyl]methanol has a molecular weight of 283.30 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluoro-4-nitrophenyl)methoxy]cyclohexyl]methanol is sourced from PubChem (CID 106825550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).