[4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol

C14H18FNO4 — CID 106825684

IUPAC[4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol
SMILESCc1cc(OC2CCC(CO)CC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C14H18FNO4/c1-9-6-14(13(16(18)19)7-12(9)15)20-11-4-2-10(8-17)3-5-11/h6-7,10-11,17H,2-5,8H2,1H3
InChIKeyCQFDTCDMAXJSJQ-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.97
Rot. Bonds4

About [4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol

[4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol (PubChem CID 106825684) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is [4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol
PubChem CID106825684
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name[4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol
SMILESCc1cc(OC2CCC(CO)CC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C14H18FNO4/c1-9-6-14(13(16(18)19)7-12(9)15)20-11-4-2-10(8-17)3-5-11/h6-7,10-11,17H,2-5,8H2,1H3
InChIKeyCQFDTCDMAXJSJQ-UHFFFAOYSA-N
XLogP2.97
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.97
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'}

Analyze [4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine
CID 103594346
[4-(4-chloro-2-nitrophenoxy)cyclohexyl]methanol
CID 106825751
1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene
CID 159333833
5-cyclopropyloxy-2-fluoro-4-nitrobenzoic acid
CID 170396033
1-fluoro-4-methoxy-2-methyl-5-nitrobenzene
CID 10583662
O-(4-fluoro-5-methyl-2-nitrophenyl)hydroxylamine;hydrochloride
CID 162421806
[4-[(3-fluoro-4-nitrophenyl)methoxy]cyclohexyl]methanol
CID 106825550
3-(5-bromo-4-fluoro-2-nitrophenoxy)cyclopentan-1-amine
CID 116739740
3-(4,5-difluoro-2-nitrophenoxy)azetidine
CID 139591719
2-[4-(4-fluoro-5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 107709582
[4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol
CID 106825796
4-[(4-fluoro-5-methyl-2-nitrophenyl)methyl]-1-(4-methoxycyclohexyl)piperidine
CID 161412120

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol?
The IUPAC name of [4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol (CID 106825684) is [4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol.
What is the SMILES notation for [4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol?
The canonical SMILES for [4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol is Cc1cc(OC2CCC(CO)CC2)c([N+](=O)[O-])cc1F.
What is the InChIKey of [4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol?
The InChIKey is CQFDTCDMAXJSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-9-6-14(13(16(18)19)7-12(9)15)20-11-4-2-10(8-17)3-5-11/h6-7,10-11,17H,2-5,8H2,1H3.
What are the key properties of [4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol?
[4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol has a molecular weight of 283.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol is sourced from PubChem (CID 106825684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).