1-cyclopentyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol

C15H20FNO4 — CID 103160727

IUPAC1-cyclopentyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol
SMILESCc1cc(OCC(O)CC2CCCC2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H20FNO4/c1-10-6-15(13(16)8-14(10)17(19)20)21-9-12(18)7-11-4-2-3-5-11/h6,8,11-12,18H,2-5,7,9H2,1H3
InChIKeyFWRADCAWITVDDZ-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.36
Rot. Bonds6

About 1-cyclopentyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol

1-cyclopentyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol (PubChem CID 103160727) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol
PubChem CID103160727
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name1-cyclopentyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol
SMILESCc1cc(OCC(O)CC2CCCC2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H20FNO4/c1-10-6-15(13(16)8-14(10)17(19)20)21-9-12(18)7-11-4-2-3-5-11/h6,8,11-12,18H,2-5,7,9H2,1H3
InChIKeyFWRADCAWITVDDZ-UHFFFAOYSA-N
XLogP3.36
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.36
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 1-cyclopentyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol 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

1-amino-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol
CID 114416438
1-(2-bromo-4-fluoro-6-nitrophenoxy)-3-cyclopentylpropan-2-ol
CID 103160498
3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine
CID 114416727
3-(2-fluoro-5-methyl-4-nitrophenoxy)-2-(propan-2-ylamino)propanoic acid
CID 114417820
2-(2-fluoro-5-methyl-4-nitrophenoxy)cyclohexan-1-ol
CID 114417732
3,3,3-trifluoro-2-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]propanenitrile
CID 103368453
2-(2-fluoro-5-methyl-4-nitrophenoxy)acetic acid
CID 114416258
2-(3-cyclopentyl-2-hydroxypropoxy)-5-nitrobenzaldehyde
CID 103158645
2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]cyclopentan-1-one
CID 114417282
2-(2-fluoro-5-methyl-4-nitrophenoxy)-1-phenylethanamine
CID 114416740
2-[3-(2-fluoro-5-methyl-4-nitrophenoxy)propyl]pyrrolidine
CID 114416735
N-tert-butyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpropan-1-amine
CID 114417430

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol (CID 103160727) is 1-cyclopentyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol is Cc1cc(OCC(O)CC2CCCC2)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 1-cyclopentyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol?
The InChIKey is FWRADCAWITVDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-10-6-15(13(16)8-14(10)17(19)20)21-9-12(18)7-11-4-2-3-5-11/h6,8,11-12,18H,2-5,7,9H2,1H3.
What are the key properties of 1-cyclopentyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol?
1-cyclopentyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol has a molecular weight of 297.33 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol is sourced from PubChem (CID 103160727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).