(4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone

C19H13NO5 — CID 139719116

IUPAC(4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone
SMILESO=C(c1ccc(O)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H13NO5/c21-16-7-1-13(2-8-16)19(22)14-3-9-17(10-4-14)25-18-11-5-15(6-12-18)20(23)24/h1-12,21H
InChIKeyACUYNVXZEGTNJM-UHFFFAOYSA-N
MW335.32 g/mol
LogP4.32
Rot. Bonds5

About (4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone

(4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone (PubChem CID 139719116) has the molecular formula C19H13NO5 and a molecular weight of 335.32 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone
PubChem CID139719116
Molecular FormulaC19H13NO5
Molecular Weight335.32 g/mol
Exact Mass335.08
IUPAC Name(4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone
SMILESO=C(c1ccc(O)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H13NO5/c21-16-7-1-13(2-8-16)19(22)14-3-9-17(10-4-14)25-18-11-5-15(6-12-18)20(23)24/h1-12,21H
InChIKeyACUYNVXZEGTNJM-UHFFFAOYSA-N
XLogP4.32
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
CID 14344371
4-[4-(4-nitrophenoxy)phenyl]sulfinylphenol
CID 139719117
4-nitrophenol
CID 88714583
[3-(4-hydroxybenzoyl)-5-nitrophenyl]-(4-hydroxyphenyl)methanone
CID 12070506
4-hydroxybenzoic acid;4-nitrobenzoic acid
CID 174864813
[3-[3-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone;palladium
CID 88696344
2-chloro-1-[4-(4-nitrophenoxy)phenyl]ethanone
CID 93192486
2-bromo-1-[4-(4-nitrophenoxy)phenyl]ethanone
CID 87060508
4-nitrophenol;phosphane
CID 157153413
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067
benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 159184900
[3,4-bis(4-nitrophenoxy)phenyl]-phenylmethanone
CID 139816675

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone (CID 139719116) is (4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone is O=C(c1ccc(O)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of (4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone?
The InChIKey is ACUYNVXZEGTNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO5/c21-16-7-1-13(2-8-16)19(22)14-3-9-17(10-4-14)25-18-11-5-15(6-12-18)20(23)24/h1-12,21H.
What are the key properties of (4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone?
(4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone has a molecular weight of 335.32 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone is sourced from PubChem (CID 139719116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).