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

C15H15NO4 — CID 43472911

IUPAC[2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol
SMILESCc1ccc(COc2ccc([N+](=O)[O-])cc2CO)cc1
InChIInChI=1S/C15H15NO4/c1-11-2-4-12(5-3-11)10-20-15-7-6-14(16(18)19)8-13(15)9-17/h2-8,17H,9-10H2,1H3
InChIKeyIVNMFYIVCIVDHX-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.97
Rot. Bonds5

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

[2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol (PubChem CID 43472911) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is [2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol.

Molecular Properties

Compound Name[2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol
PubChem CID43472911
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name[2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol
SMILESCc1ccc(COc2ccc([N+](=O)[O-])cc2CO)cc1
InChIInChI=1S/C15H15NO4/c1-11-2-4-12(5-3-11)10-20-15-7-6-14(16(18)19)8-13(15)9-17/h2-8,17H,9-10H2,1H3
InChIKeyIVNMFYIVCIVDHX-UHFFFAOYSA-N
XLogP2.97
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.97
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

[2-[(3,5-dimethylphenyl)methoxy]-5-nitrophenyl]methanol
CID 61029024
[2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol
CID 28964238
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
2-(chloromethyl)-4-methyl-1-[(4-nitrophenyl)methoxy]benzene
CID 63325775
[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol
CID 43472956
[5-fluoro-2-[(4-methylphenyl)methoxy]phenyl]methanol
CID 107698416
[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-nitrophenyl]methanol
CID 43472935
ethyl 2-[2-(hydroxymethyl)-4-nitrophenoxy]acetate
CID 43472951
2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide
CID 43472920
[2-(2-fluoroethoxy)-5-nitrophenyl]methanol
CID 80695743
[5-methoxy-2-[(3-nitrophenyl)methoxy]phenyl]methanol
CID 43267995
2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide
CID 43472899

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol?
The IUPAC name of [2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol (CID 43472911) is [2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol.
What is the SMILES notation for [2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol?
The canonical SMILES for [2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol is Cc1ccc(COc2ccc([N+](=O)[O-])cc2CO)cc1.
What is the InChIKey of [2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol?
The InChIKey is IVNMFYIVCIVDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-11-2-4-12(5-3-11)10-20-15-7-6-14(16(18)19)8-13(15)9-17/h2-8,17H,9-10H2,1H3.
What are the key properties of [2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol?
[2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol has a molecular weight of 273.29 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol is sourced from PubChem (CID 43472911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).