3-(4-nitrophenyl)phenol

C12H9NO3 — CID 15743438

IUPAC3-(4-nitrophenyl)phenol
SMILESO=[N+]([O-])c1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C12H9NO3/c14-12-3-1-2-10(8-12)9-4-6-11(7-5-9)13(15)16/h1-8,14H
InChIKeyKYLNRUUIOCCZPG-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.97
Rot. Bonds2

About 3-(4-nitrophenyl)phenol

3-(4-nitrophenyl)phenol (PubChem CID 15743438) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 3-(4-nitrophenyl)phenol.

Molecular Properties

Compound Name3-(4-nitrophenyl)phenol
PubChem CID15743438
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name3-(4-nitrophenyl)phenol
SMILESO=[N+]([O-])c1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C12H9NO3/c14-12-3-1-2-10(8-12)9-4-6-11(7-5-9)13(15)16/h1-8,14H
InChIKeyKYLNRUUIOCCZPG-UHFFFAOYSA-N
XLogP2.97
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.97
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-[3-(4-nitrophenyl)phenyl]-N,N-bis[4-[3-(4-nitrophenyl)phenyl]phenyl]aniline
CID 59757686
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
3-(3-hydroxyphenyl)-5-nitrobenzoic acid
CID 53224979
3-(4-hydroxyphenyl)phenol;hydrobromide
CID 153382873
3-(4-nitrophenyl)benzaldehyde
CID 46193459
1-tert-butyl-3-(4-nitrophenyl)benzene
CID 165476956
4-nitro-1-oxidopyridin-1-ium;4-(4-nitrophenyl)phenol
CID 139089084
3-bromophenol;1,3-dinitrobenzene
CID 174334115
4-nitrophenol
CID 88714583
bis(1-nitro-4-phenylbenzene);sulfur dioxide
CID 174751271
3-[5-[4-[4-[2-(3-hydroxyphenyl)-4-(4-nitrophenyl)-1H-imidazol-5-yl]phenoxy]phenyl]-4-(4-nitrophenyl)-1H-imidazol-2-yl]phenol
CID 135510187
4-nitrophenol;phosphane
CID 157153413

Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenyl)phenol?
The IUPAC name of 3-(4-nitrophenyl)phenol (CID 15743438) is 3-(4-nitrophenyl)phenol.
What is the SMILES notation for 3-(4-nitrophenyl)phenol?
The canonical SMILES for 3-(4-nitrophenyl)phenol is O=[N+]([O-])c1ccc(-c2cccc(O)c2)cc1.
What is the InChIKey of 3-(4-nitrophenyl)phenol?
The InChIKey is KYLNRUUIOCCZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-12-3-1-2-10(8-12)9-4-6-11(7-5-9)13(15)16/h1-8,14H.
What are the key properties of 3-(4-nitrophenyl)phenol?
3-(4-nitrophenyl)phenol has a molecular weight of 215.21 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenyl)phenol is sourced from PubChem (CID 15743438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).