4-(5-nitro-2-phenylphenoxy)phenol

C18H13NO4 — CID 70376187

IUPAC4-(5-nitro-2-phenylphenoxy)phenol
SMILESO=[N+]([O-])c1ccc(-c2ccccc2)c(Oc2ccc(O)cc2)c1
InChIInChI=1S/C18H13NO4/c20-15-7-9-16(10-8-15)23-18-12-14(19(21)22)6-11-17(18)13-4-2-1-3-5-13/h1-12,20H
InChIKeyFLWYSNRELAQGTD-UHFFFAOYSA-N
MW307.31 g/mol
LogP4.76
Rot. Bonds4

About 4-(5-nitro-2-phenylphenoxy)phenol

4-(5-nitro-2-phenylphenoxy)phenol (PubChem CID 70376187) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 4-(5-nitro-2-phenylphenoxy)phenol.

Molecular Properties

Compound Name4-(5-nitro-2-phenylphenoxy)phenol
PubChem CID70376187
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name4-(5-nitro-2-phenylphenoxy)phenol
SMILESO=[N+]([O-])c1ccc(-c2ccccc2)c(Oc2ccc(O)cc2)c1
InChIInChI=1S/C18H13NO4/c20-15-7-9-16(10-8-15)23-18-12-14(19(21)22)6-11-17(18)13-4-2-1-3-5-13/h1-12,20H
InChIKeyFLWYSNRELAQGTD-UHFFFAOYSA-N
XLogP4.76
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.76
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

4-(4-nitro-2-phenylphenyl)phenol
CID 174946678
4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene
CID 155192060
methane;4-nitrobenzene-1,2-dicarbonitrile;4-phenylphenol;4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile
CID 160767695
4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene
CID 141390803
4-[4-nitro-2-(trifluoromethyl)phenoxy]phenol
CID 13208372
(4-nitro-2-phenylphenyl) hydrogen carbonate
CID 53438460
3-methoxy-4-(3-nitrophenyl)phenol
CID 24767500
4-nitro-1-phenoxy-2-phenylmethoxybenzene
CID 139434061
[2-((1,2,3,4,5,6-13C6)cyclohexatrienyloxy)-4-nitrophenyl]-phenylmethanone
CID 71751591
4-nitrophenol;phenyl hypochlorite
CID 174923646
sodium;4-(2,4-dinitrophenyl)phenol;hydride
CID 174918783
2-(4-hydroxyphenyl)-5-nitrobenzonitrile
CID 23508482

Frequently Asked Questions

What is the IUPAC name of 4-(5-nitro-2-phenylphenoxy)phenol?
The IUPAC name of 4-(5-nitro-2-phenylphenoxy)phenol (CID 70376187) is 4-(5-nitro-2-phenylphenoxy)phenol.
What is the SMILES notation for 4-(5-nitro-2-phenylphenoxy)phenol?
The canonical SMILES for 4-(5-nitro-2-phenylphenoxy)phenol is O=[N+]([O-])c1ccc(-c2ccccc2)c(Oc2ccc(O)cc2)c1.
What is the InChIKey of 4-(5-nitro-2-phenylphenoxy)phenol?
The InChIKey is FLWYSNRELAQGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c20-15-7-9-16(10-8-15)23-18-12-14(19(21)22)6-11-17(18)13-4-2-1-3-5-13/h1-12,20H.
What are the key properties of 4-(5-nitro-2-phenylphenoxy)phenol?
4-(5-nitro-2-phenylphenoxy)phenol has a molecular weight of 307.31 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-nitro-2-phenylphenoxy)phenol is sourced from PubChem (CID 70376187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).