1-(5-methyl-2-nitrophenoxy)cyclopentan-1-ol

C12H15NO4 — CID 67786788

IUPAC1-(5-methyl-2-nitrophenoxy)cyclopentan-1-ol
SMILESCc1ccc([N+](=O)[O-])c(OC2(O)CCCC2)c1
InChIInChI=1S/C12H15NO4/c1-9-4-5-10(13(15)16)11(8-9)17-12(14)6-2-3-7-12/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeyFUGBEGTXLLDSMN-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.54
Rot. Bonds3

About 1-(5-methyl-2-nitrophenoxy)cyclopentan-1-ol

1-(5-methyl-2-nitrophenoxy)cyclopentan-1-ol (PubChem CID 67786788) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-(5-methyl-2-nitrophenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(5-methyl-2-nitrophenoxy)cyclopentan-1-ol
PubChem CID67786788
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name1-(5-methyl-2-nitrophenoxy)cyclopentan-1-ol
SMILESCc1ccc([N+](=O)[O-])c(OC2(O)CCCC2)c1
InChIInChI=1S/C12H15NO4/c1-9-4-5-10(13(15)16)11(8-9)17-12(14)6-2-3-7-12/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeyFUGBEGTXLLDSMN-UHFFFAOYSA-N
XLogP2.54
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methyl-1-nitrobenzene
CID 65001287
3-bromo-1-(5-methyl-2-nitrophenoxy)spiro[3.5]nonane
CID 66346570
3-(5-methyl-2-nitrophenoxy)butan-2-one
CID 60652373
2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
CID 65495933
1-amino-3-(5-methyl-2-nitrophenoxy)propan-2-ol
CID 24701939
4-methyl-2-(3-methylbutoxy)-1-nitrobenzene
CID 66999028
3-(1-ethenylcyclopentyl)oxy-4-nitrobenzoic acid
CID 170686465
1-(5-methyl-2-nitrophenyl)cyclopropan-1-amine
CID 130545851
(1S)-1-[2-(5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 63374737
1-[(5-methyl-2-nitroanilino)methyl]cyclobutan-1-ol
CID 115689232
(1R)-1-[2-(5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 78941825
2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine
CID 102749610

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-nitrophenoxy)cyclopentan-1-ol?
The IUPAC name of 1-(5-methyl-2-nitrophenoxy)cyclopentan-1-ol (CID 67786788) is 1-(5-methyl-2-nitrophenoxy)cyclopentan-1-ol.
What is the SMILES notation for 1-(5-methyl-2-nitrophenoxy)cyclopentan-1-ol?
The canonical SMILES for 1-(5-methyl-2-nitrophenoxy)cyclopentan-1-ol is Cc1ccc([N+](=O)[O-])c(OC2(O)CCCC2)c1.
What is the InChIKey of 1-(5-methyl-2-nitrophenoxy)cyclopentan-1-ol?
The InChIKey is FUGBEGTXLLDSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-9-4-5-10(13(15)16)11(8-9)17-12(14)6-2-3-7-12/h4-5,8,14H,2-3,6-7H2,1H3.
What are the key properties of 1-(5-methyl-2-nitrophenoxy)cyclopentan-1-ol?
1-(5-methyl-2-nitrophenoxy)cyclopentan-1-ol has a molecular weight of 237.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-nitrophenoxy)cyclopentan-1-ol is sourced from PubChem (CID 67786788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).