2-(4-nitronaphthalen-1-yl)oxycyclopentan-1-ol

C15H15NO4 — CID 63690282

IUPAC2-(4-nitronaphthalen-1-yl)oxycyclopentan-1-ol
SMILESO=[N+]([O-])c1ccc(OC2CCCC2O)c2ccccc12
InChIInChI=1S/C15H15NO4/c17-13-6-3-7-15(13)20-14-9-8-12(16(18)19)10-4-1-2-5-11(10)14/h1-2,4-5,8-9,13,15,17H,3,6-7H2
InChIKeyMWWIXNMVQCGCFQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.04
Rot. Bonds3

About 2-(4-nitronaphthalen-1-yl)oxycyclopentan-1-ol

2-(4-nitronaphthalen-1-yl)oxycyclopentan-1-ol (PubChem CID 63690282) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(4-nitronaphthalen-1-yl)oxycyclopentan-1-ol.

Molecular Properties

Compound Name2-(4-nitronaphthalen-1-yl)oxycyclopentan-1-ol
PubChem CID63690282
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-(4-nitronaphthalen-1-yl)oxycyclopentan-1-ol
SMILESO=[N+]([O-])c1ccc(OC2CCCC2O)c2ccccc12
InChIInChI=1S/C15H15NO4/c17-13-6-3-7-15(13)20-14-9-8-12(16(18)19)10-4-1-2-5-11(10)14/h1-2,4-5,8-9,13,15,17H,3,6-7H2
InChIKeyMWWIXNMVQCGCFQ-UHFFFAOYSA-N
XLogP3.04
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.04
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-(4-nitronaphthalen-1-yl)oxycyclohexan-1-amine
CID 63691542
2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol
CID 60879534
2-[4-(hydroxymethyl)-2-nitrophenoxy]cyclopentan-1-ol
CID 60884404
4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-nitrobenzonitrile
CID 102735480
trans-(1R,2R)-2-[2-nitro-4-(trifluoromethyl)phenoxy]cyclopentan-1-ol
CID 102735560
2-(4,5-dichloro-2-nitrophenoxy)cyclopentan-1-ol
CID 107501246
trans-(1S,2S)-2-(2,4-dimethyl-5-nitrophenoxy)cyclopentan-1-ol
CID 114088176
2-(4-methoxy-3-nitrophenoxy)cyclopentan-1-ol
CID 103202112
(4-nitronaphthalen-1-yl) hydrogen sulfate
CID 19080010
2-(5-nitroisoquinolin-8-yl)oxycyclopentan-1-amine
CID 103142904
2-[4-(methylaminomethyl)-2-nitrophenoxy]cyclopentan-1-ol
CID 60881807
trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol
CID 139056269

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitronaphthalen-1-yl)oxycyclopentan-1-ol?
The IUPAC name of 2-(4-nitronaphthalen-1-yl)oxycyclopentan-1-ol (CID 63690282) is 2-(4-nitronaphthalen-1-yl)oxycyclopentan-1-ol.
What is the SMILES notation for 2-(4-nitronaphthalen-1-yl)oxycyclopentan-1-ol?
The canonical SMILES for 2-(4-nitronaphthalen-1-yl)oxycyclopentan-1-ol is O=[N+]([O-])c1ccc(OC2CCCC2O)c2ccccc12.
What is the InChIKey of 2-(4-nitronaphthalen-1-yl)oxycyclopentan-1-ol?
The InChIKey is MWWIXNMVQCGCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-13-6-3-7-15(13)20-14-9-8-12(16(18)19)10-4-1-2-5-11(10)14/h1-2,4-5,8-9,13,15,17H,3,6-7H2.
What are the key properties of 2-(4-nitronaphthalen-1-yl)oxycyclopentan-1-ol?
2-(4-nitronaphthalen-1-yl)oxycyclopentan-1-ol has a molecular weight of 273.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitronaphthalen-1-yl)oxycyclopentan-1-ol is sourced from PubChem (CID 63690282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).