2-[4-(hydroxymethyl)-2-nitrophenoxy]cyclopentan-1-ol

C12H15NO5 — CID 60884404

IUPAC2-[4-(hydroxymethyl)-2-nitrophenoxy]cyclopentan-1-ol
SMILESO=[N+]([O-])c1cc(CO)ccc1OC1CCCC1O
InChIInChI=1S/C12H15NO5/c14-7-8-4-5-11(9(6-8)13(16)17)18-12-3-1-2-10(12)15/h4-6,10,12,14-15H,1-3,7H2
InChIKeyGMHBJARANZWYSK-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.38
Rot. Bonds4

About 2-[4-(hydroxymethyl)-2-nitrophenoxy]cyclopentan-1-ol

2-[4-(hydroxymethyl)-2-nitrophenoxy]cyclopentan-1-ol (PubChem CID 60884404) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-2-nitrophenoxy]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-2-nitrophenoxy]cyclopentan-1-ol
PubChem CID60884404
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-[4-(hydroxymethyl)-2-nitrophenoxy]cyclopentan-1-ol
SMILESO=[N+]([O-])c1cc(CO)ccc1OC1CCCC1O
InChIInChI=1S/C12H15NO5/c14-7-8-4-5-11(9(6-8)13(16)17)18-12-3-1-2-10(12)15/h4-6,10,12,14-15H,1-3,7H2
InChIKeyGMHBJARANZWYSK-UHFFFAOYSA-N
XLogP1.38
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[4-(methylaminomethyl)-2-nitrophenoxy]cyclopentan-1-ol
CID 60881807
4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-nitrobenzonitrile
CID 102735480
2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol
CID 60879534
trans-(1R,2R)-2-[2-nitro-4-(trifluoromethyl)phenoxy]cyclopentan-1-ol
CID 102735560
2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 63050614
2-(4,5-dichloro-2-nitrophenoxy)cyclopentan-1-ol
CID 107501246
2-(4-methoxy-3-nitrophenoxy)cyclopentan-1-ol
CID 103202112
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 60883957
2-(4-nitronaphthalen-1-yl)oxycyclopentan-1-ol
CID 63690282
trans-(1S,2S)-2-(2,4-dimethyl-5-nitrophenoxy)cyclopentan-1-ol
CID 114088176
(3-nitro-4-propan-2-yloxyphenyl)methanol
CID 28963964
2-ethoxy-3-(4-ethyl-2-nitrophenoxy)cyclobutan-1-ol
CID 104675439

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-2-nitrophenoxy]cyclopentan-1-ol?
The IUPAC name of 2-[4-(hydroxymethyl)-2-nitrophenoxy]cyclopentan-1-ol (CID 60884404) is 2-[4-(hydroxymethyl)-2-nitrophenoxy]cyclopentan-1-ol.
What is the SMILES notation for 2-[4-(hydroxymethyl)-2-nitrophenoxy]cyclopentan-1-ol?
The canonical SMILES for 2-[4-(hydroxymethyl)-2-nitrophenoxy]cyclopentan-1-ol is O=[N+]([O-])c1cc(CO)ccc1OC1CCCC1O.
What is the InChIKey of 2-[4-(hydroxymethyl)-2-nitrophenoxy]cyclopentan-1-ol?
The InChIKey is GMHBJARANZWYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c14-7-8-4-5-11(9(6-8)13(16)17)18-12-3-1-2-10(12)15/h4-6,10,12,14-15H,1-3,7H2.
What are the key properties of 2-[4-(hydroxymethyl)-2-nitrophenoxy]cyclopentan-1-ol?
2-[4-(hydroxymethyl)-2-nitrophenoxy]cyclopentan-1-ol has a molecular weight of 253.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-2-nitrophenoxy]cyclopentan-1-ol is sourced from PubChem (CID 60884404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).