2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol

C12H15NO5 — CID 60879534

IUPAC2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol
SMILESCOc1ccc(OC2CCCC2O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H15NO5/c1-17-8-5-6-11(9(7-8)13(15)16)18-12-4-2-3-10(12)14/h5-7,10,12,14H,2-4H2,1H3
InChIKeyVDBDQNOHKYFSIN-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.90
Rot. Bonds4

About 2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol

2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol (PubChem CID 60879534) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol
PubChem CID60879534
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol
SMILESCOc1ccc(OC2CCCC2O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H15NO5/c1-17-8-5-6-11(9(7-8)13(15)16)18-12-4-2-3-10(12)14/h5-7,10,12,14H,2-4H2,1H3
InChIKeyVDBDQNOHKYFSIN-UHFFFAOYSA-N
XLogP1.90
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
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-methoxy-3-nitrophenoxy)cyclopentan-1-ol
CID 103202112
2-(2-hydroxycyclopentyl)oxy-5-methoxybenzaldehyde
CID 60883746
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-(methylaminomethyl)-2-nitrophenoxy]cyclopentan-1-ol
CID 60881807
trans-(1S,2S)-2-(2-methoxy-5-nitrophenoxy)cyclohexan-1-ol
CID 102732545
2-(4,5-dichloro-2-nitrophenoxy)cyclopentan-1-ol
CID 107501246
3-(4-methoxy-2-nitrophenoxy)spiro[3.4]octan-1-ol
CID 66367717
trans-(1S,2S)-2-(2,4-dimethyl-5-nitrophenoxy)cyclopentan-1-ol
CID 114088176
1-(3-chlorocyclobutyl)oxy-4-methoxy-2-nitrobenzene
CID 66344224
1-(3-bromocyclobutyl)oxy-4-methoxy-2-nitrobenzene
CID 66344436

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol?
The IUPAC name of 2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol (CID 60879534) is 2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol.
What is the SMILES notation for 2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol?
The canonical SMILES for 2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol is COc1ccc(OC2CCCC2O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol?
The InChIKey is VDBDQNOHKYFSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-17-8-5-6-11(9(7-8)13(15)16)18-12-4-2-3-10(12)14/h5-7,10,12,14H,2-4H2,1H3.
What are the key properties of 2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol?
2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol has a molecular weight of 253.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol is sourced from PubChem (CID 60879534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).