[3-nitro-4-(2-phenylethoxy)phenyl]methanol

C15H15NO4 — CID 29003909

IUPAC[3-nitro-4-(2-phenylethoxy)phenyl]methanol
SMILESO=[N+]([O-])c1cc(CO)ccc1OCCc1ccccc1
InChIInChI=1S/C15H15NO4/c17-11-13-6-7-15(14(10-13)16(18)19)20-9-8-12-4-2-1-3-5-12/h1-7,10,17H,8-9,11H2
InChIKeyVEMKTBAQAROZBQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.71
Rot. Bonds6

About [3-nitro-4-(2-phenylethoxy)phenyl]methanol

[3-nitro-4-(2-phenylethoxy)phenyl]methanol (PubChem CID 29003909) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is [3-nitro-4-(2-phenylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-nitro-4-(2-phenylethoxy)phenyl]methanol
PubChem CID29003909
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name[3-nitro-4-(2-phenylethoxy)phenyl]methanol
SMILESO=[N+]([O-])c1cc(CO)ccc1OCCc1ccccc1
InChIInChI=1S/C15H15NO4/c17-11-13-6-7-15(14(10-13)16(18)19)20-9-8-12-4-2-1-3-5-12/h1-7,10,17H,8-9,11H2
InChIKeyVEMKTBAQAROZBQ-UHFFFAOYSA-N
XLogP2.71
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.71
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

[3-nitro-4-(2-thiophen-2-ylethoxy)phenyl]methanol
CID 63773650
methyl 3-nitro-4-(2-phenylethoxy)benzoate
CID 51289560
[3-nitro-4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanol
CID 116616347
[4-(3-methylsulfanylpropoxy)-3-nitrophenyl]methanol
CID 113473745
3-[4-(hydroxymethyl)-2-nitrophenoxy]propane-1-sulfonic acid
CID 58163388
[3-bromo-4-(2-phenylethoxy)phenyl]methanol
CID 63050620
[4-(3-methoxy-3-methylbutoxy)-3-nitrophenyl]methanol
CID 103034156
[4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol
CID 43137760
[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
CID 28562144
[4-[2-(hydroxymethyl)phenoxy]-3-nitrophenyl]methanol
CID 63653967
[3-nitro-4-(2-pyridin-4-ylethoxy)phenyl]methanamine
CID 60891665
1-[4-(hydroxymethyl)-2-nitrophenoxy]-3-methoxypropan-2-ol
CID 63929267

Frequently Asked Questions

What is the IUPAC name of [3-nitro-4-(2-phenylethoxy)phenyl]methanol?
The IUPAC name of [3-nitro-4-(2-phenylethoxy)phenyl]methanol (CID 29003909) is [3-nitro-4-(2-phenylethoxy)phenyl]methanol.
What is the SMILES notation for [3-nitro-4-(2-phenylethoxy)phenyl]methanol?
The canonical SMILES for [3-nitro-4-(2-phenylethoxy)phenyl]methanol is O=[N+]([O-])c1cc(CO)ccc1OCCc1ccccc1.
What is the InChIKey of [3-nitro-4-(2-phenylethoxy)phenyl]methanol?
The InChIKey is VEMKTBAQAROZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-11-13-6-7-15(14(10-13)16(18)19)20-9-8-12-4-2-1-3-5-12/h1-7,10,17H,8-9,11H2.
What are the key properties of [3-nitro-4-(2-phenylethoxy)phenyl]methanol?
[3-nitro-4-(2-phenylethoxy)phenyl]methanol has a molecular weight of 273.29 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-nitro-4-(2-phenylethoxy)phenyl]methanol is sourced from PubChem (CID 29003909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).