4-(4-nitro-2-phenylphenyl)phenol

C18H13NO3 — CID 174946678

IUPAC4-(4-nitro-2-phenylphenyl)phenol
SMILESO=[N+]([O-])c1ccc(-c2ccc(O)cc2)c(-c2ccccc2)c1
InChIInChI=1S/C18H13NO3/c20-16-9-6-14(7-10-16)17-11-8-15(19(21)22)12-18(17)13-4-2-1-3-5-13/h1-12,20H
InChIKeyRDFXZLGUDWRECF-UHFFFAOYSA-N
MW291.31 g/mol
LogP4.63
Rot. Bonds3

About 4-(4-nitro-2-phenylphenyl)phenol

4-(4-nitro-2-phenylphenyl)phenol (PubChem CID 174946678) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-(4-nitro-2-phenylphenyl)phenol.

Molecular Properties

Compound Name4-(4-nitro-2-phenylphenyl)phenol
PubChem CID174946678
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name4-(4-nitro-2-phenylphenyl)phenol
SMILESO=[N+]([O-])c1ccc(-c2ccc(O)cc2)c(-c2ccccc2)c1
InChIInChI=1S/C18H13NO3/c20-16-9-6-14(7-10-16)17-11-8-15(19(21)22)12-18(17)13-4-2-1-3-5-13/h1-12,20H
InChIKeyRDFXZLGUDWRECF-UHFFFAOYSA-N
XLogP4.63
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(5-nitro-2-phenylphenoxy)phenol
CID 70376187
4-(5-nitro-2-phenylphenyl)phthalic acid
CID 175116891
sodium;4-(2,4-dinitrophenyl)phenol;hydride
CID 174918783
2-(4-hydroxyphenyl)-5-nitrobenzonitrile
CID 23508482
(4-nitro-2-phenylphenyl)boronic acid
CID 150240507
4-nitro-1-[(4-nitro-2-phenylphenyl)methoxymethyl]-2-phenylbenzene
CID 88772999
5-nitro-2-phenylbenzoyl chloride
CID 21406523
methyl 3-(4-nitrophenyl)-4-phenylbenzoate
CID 71664817
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene
CID 141390803
3-methyl-4-(4-nitrophenyl)phenol
CID 118072447
4-nitrophenol
CID 88714583

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitro-2-phenylphenyl)phenol?
The IUPAC name of 4-(4-nitro-2-phenylphenyl)phenol (CID 174946678) is 4-(4-nitro-2-phenylphenyl)phenol.
What is the SMILES notation for 4-(4-nitro-2-phenylphenyl)phenol?
The canonical SMILES for 4-(4-nitro-2-phenylphenyl)phenol is O=[N+]([O-])c1ccc(-c2ccc(O)cc2)c(-c2ccccc2)c1.
What is the InChIKey of 4-(4-nitro-2-phenylphenyl)phenol?
The InChIKey is RDFXZLGUDWRECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c20-16-9-6-14(7-10-16)17-11-8-15(19(21)22)12-18(17)13-4-2-1-3-5-13/h1-12,20H.
What are the key properties of 4-(4-nitro-2-phenylphenyl)phenol?
4-(4-nitro-2-phenylphenyl)phenol has a molecular weight of 291.31 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitro-2-phenylphenyl)phenol is sourced from PubChem (CID 174946678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).