[2-(3-methoxy-2-nitrophenoxy)phenyl]methanol

C14H13NO5 — CID 107713464

IUPAC[2-(3-methoxy-2-nitrophenoxy)phenyl]methanol
SMILESCOc1cccc(Oc2ccccc2CO)c1[N+](=O)[O-]
InChIInChI=1S/C14H13NO5/c1-19-12-7-4-8-13(14(12)15(17)18)20-11-6-3-2-5-10(11)9-16/h2-8,16H,9H2,1H3
InChIKeyQTNZYKMGECSPGR-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.89
Rot. Bonds5

About [2-(3-methoxy-2-nitrophenoxy)phenyl]methanol

[2-(3-methoxy-2-nitrophenoxy)phenyl]methanol (PubChem CID 107713464) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is [2-(3-methoxy-2-nitrophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-(3-methoxy-2-nitrophenoxy)phenyl]methanol
PubChem CID107713464
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name[2-(3-methoxy-2-nitrophenoxy)phenyl]methanol
SMILESCOc1cccc(Oc2ccccc2CO)c1[N+](=O)[O-]
InChIInChI=1S/C14H13NO5/c1-19-12-7-4-8-13(14(12)15(17)18)20-11-6-3-2-5-10(11)9-16/h2-8,16H,9H2,1H3
InChIKeyQTNZYKMGECSPGR-UHFFFAOYSA-N
XLogP2.89
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.89
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-(2-nitrophenoxy)phenyl]methanol
CID 54915252
[2-(4-methyl-2-nitrophenoxy)phenyl]methanol
CID 61311271
(2-(111C)methoxyphenyl)methanol
CID 59897789
[2-[(3-nitro-4-pyridinyl)oxy]phenyl]methanol
CID 107713386
[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]methanol
CID 107713456
[4-[2-(hydroxymethyl)phenoxy]-3-nitrophenyl]methanol
CID 63653967
[2-(2-fluoro-6-nitrophenoxy)phenyl]methanol
CID 104831942
[2-(5-chloro-2-nitrophenoxy)phenyl]methanol
CID 62304673
N-ethyl-3-(2-ethylphenoxy)-2-nitroaniline
CID 80875743
6-(hydroxymethyl)-3-methoxy-2-nitrobenzonitrile
CID 171027355
3-[2-(hydroxymethyl)phenoxy]-4-nitrobenzamide
CID 107713461
2-(3-methyl-2-nitrophenoxy)phenol
CID 114041918

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxy-2-nitrophenoxy)phenyl]methanol?
The IUPAC name of [2-(3-methoxy-2-nitrophenoxy)phenyl]methanol (CID 107713464) is [2-(3-methoxy-2-nitrophenoxy)phenyl]methanol.
What is the SMILES notation for [2-(3-methoxy-2-nitrophenoxy)phenyl]methanol?
The canonical SMILES for [2-(3-methoxy-2-nitrophenoxy)phenyl]methanol is COc1cccc(Oc2ccccc2CO)c1[N+](=O)[O-].
What is the InChIKey of [2-(3-methoxy-2-nitrophenoxy)phenyl]methanol?
The InChIKey is QTNZYKMGECSPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-19-12-7-4-8-13(14(12)15(17)18)20-11-6-3-2-5-10(11)9-16/h2-8,16H,9H2,1H3.
What are the key properties of [2-(3-methoxy-2-nitrophenoxy)phenyl]methanol?
[2-(3-methoxy-2-nitrophenoxy)phenyl]methanol has a molecular weight of 275.26 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxy-2-nitrophenoxy)phenyl]methanol is sourced from PubChem (CID 107713464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).