2-(2-fluoro-5-methyl-4-nitrophenoxy)cyclohexan-1-ol

C13H16FNO4 — CID 114417732

IUPAC2-(2-fluoro-5-methyl-4-nitrophenoxy)cyclohexan-1-ol
SMILESCc1cc(OC2CCCCC2O)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H16FNO4/c1-8-6-13(9(14)7-10(8)15(17)18)19-12-5-3-2-4-11(12)16/h6-7,11-12,16H,2-5H2,1H3
InChIKeyRZXQQVGOCJTMHX-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.72
Rot. Bonds3

About 2-(2-fluoro-5-methyl-4-nitrophenoxy)cyclohexan-1-ol

2-(2-fluoro-5-methyl-4-nitrophenoxy)cyclohexan-1-ol (PubChem CID 114417732) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-(2-fluoro-5-methyl-4-nitrophenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-fluoro-5-methyl-4-nitrophenoxy)cyclohexan-1-ol
PubChem CID114417732
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2-(2-fluoro-5-methyl-4-nitrophenoxy)cyclohexan-1-ol
SMILESCc1cc(OC2CCCCC2O)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H16FNO4/c1-8-6-13(9(14)7-10(8)15(17)18)19-12-5-3-2-4-11(12)16/h6-7,11-12,16H,2-5H2,1H3
InChIKeyRZXQQVGOCJTMHX-UHFFFAOYSA-N
XLogP2.72
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.72
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

trans-(1S,2S)-2-(2,4-dimethyl-5-nitrophenoxy)cyclopentan-1-ol
CID 114088176
trans-(1S,2S)-2-(2,4-dimethyl-6-nitrophenoxy)cyclopentan-1-ol
CID 102735489
1-cyclopentyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol
CID 103160727
2-(4,5-dichloro-2-nitrophenoxy)cyclopentan-1-ol
CID 107501246
2-(4-bromo-2-methyl-6-nitrophenoxy)cyclopentan-1-ol
CID 79843253
1-(3-chloro-2,2-dimethylcyclobutyl)oxy-2-fluoro-5-methyl-4-nitrobenzene
CID 114418256
2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol
CID 60879534
2-[4-(aminomethyl)-2-methoxy-5-nitrophenoxy]cyclohexan-1-ol
CID 60889351
1-fluoro-4-methyl-5-nitro-2-(trifluoromethoxy)benzene
CID 134628194
trans-(1S,2S)-2-(2-methoxy-5-nitrophenoxy)cyclohexan-1-ol
CID 102732545
trans-(1R,2R)-2-[2-nitro-4-(trifluoromethyl)phenoxy]cyclopentan-1-ol
CID 102735560
2-(2-fluoro-5-methyl-4-nitrophenoxy)acetic acid
CID 114416258

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methyl-4-nitrophenoxy)cyclohexan-1-ol?
The IUPAC name of 2-(2-fluoro-5-methyl-4-nitrophenoxy)cyclohexan-1-ol (CID 114417732) is 2-(2-fluoro-5-methyl-4-nitrophenoxy)cyclohexan-1-ol.
What is the SMILES notation for 2-(2-fluoro-5-methyl-4-nitrophenoxy)cyclohexan-1-ol?
The canonical SMILES for 2-(2-fluoro-5-methyl-4-nitrophenoxy)cyclohexan-1-ol is Cc1cc(OC2CCCCC2O)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-(2-fluoro-5-methyl-4-nitrophenoxy)cyclohexan-1-ol?
The InChIKey is RZXQQVGOCJTMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4/c1-8-6-13(9(14)7-10(8)15(17)18)19-12-5-3-2-4-11(12)16/h6-7,11-12,16H,2-5H2,1H3.
What are the key properties of 2-(2-fluoro-5-methyl-4-nitrophenoxy)cyclohexan-1-ol?
2-(2-fluoro-5-methyl-4-nitrophenoxy)cyclohexan-1-ol has a molecular weight of 269.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methyl-4-nitrophenoxy)cyclohexan-1-ol is sourced from PubChem (CID 114417732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).