[2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol

C15H15NO5 — CID 28964238

IUPAC[2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol
SMILESCOc1ccc(COc2ccc([N+](=O)[O-])cc2CO)cc1
InChIInChI=1S/C15H15NO5/c1-20-14-5-2-11(3-6-14)10-21-15-7-4-13(16(18)19)8-12(15)9-17/h2-8,17H,9-10H2,1H3
InChIKeyUQCVBYLRFDVNRC-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.67
Rot. Bonds6

About [2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol

[2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol (PubChem CID 28964238) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol
PubChem CID28964238
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name[2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol
SMILESCOc1ccc(COc2ccc([N+](=O)[O-])cc2CO)cc1
InChIInChI=1S/C15H15NO5/c1-20-14-5-2-11(3-6-14)10-21-15-7-4-13(16(18)19)8-12(15)9-17/h2-8,17H,9-10H2,1H3
InChIKeyUQCVBYLRFDVNRC-UHFFFAOYSA-N
XLogP2.67
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.67
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-methylphenyl)methoxy]-5-nitrophenyl]methanol
CID 43472911
[5-methoxy-2-[(3-nitrophenyl)methoxy]phenyl]methanol
CID 43267995
[2-[(3,5-dimethylphenyl)methoxy]-5-nitrophenyl]methanol
CID 61029024
2-[(4-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 28880484
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43141927
[4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol
CID 110005212
[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol
CID 43472956
[2-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanol
CID 1315933
bis[2-[(4-methoxyphenyl)methyl]-4-nitrophenyl] carbonate
CID 22729889
[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-nitrophenyl]methanol
CID 43472935
1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene
CID 7707175

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol?
The IUPAC name of [2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol (CID 28964238) is [2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol.
What is the SMILES notation for [2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol?
The canonical SMILES for [2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol is COc1ccc(COc2ccc([N+](=O)[O-])cc2CO)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol?
The InChIKey is UQCVBYLRFDVNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-20-14-5-2-11(3-6-14)10-21-15-7-4-13(16(18)19)8-12(15)9-17/h2-8,17H,9-10H2,1H3.
What are the key properties of [2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol?
[2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol has a molecular weight of 289.29 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol is sourced from PubChem (CID 28964238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).