1-benzhydryloxy-4-nitrobenzene

C19H15NO3 — CID 7434051

IUPAC1-benzhydryloxy-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15NO3/c21-20(22)17-11-13-18(14-12-17)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H
InChIKeyRBBLKGWJAPYZRS-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.76
Rot. Bonds5

About 1-benzhydryloxy-4-nitrobenzene

1-benzhydryloxy-4-nitrobenzene (PubChem CID 7434051) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-benzhydryloxy-4-nitrobenzene.

Molecular Properties

Compound Name1-benzhydryloxy-4-nitrobenzene
PubChem CID7434051
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name1-benzhydryloxy-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15NO3/c21-20(22)17-11-13-18(14-12-17)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H
InChIKeyRBBLKGWJAPYZRS-UHFFFAOYSA-N
XLogP4.76
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.76
H-Bond Donors ≤ 50
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

(2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone
CID 7816651
(2S,3R)-3-(4-nitrophenoxy)-3-phenylpropane-1,2-diol
CID 102380116
5-(4-nitrophenoxy)-5-phenylpentan-1-amine
CID 118528015
[(4-nitrophenyl)-phenylmethoxy] hydrogen carbonate
CID 19760090
trihydroxy-(4-nitrophenoxy)phosphanium
CID 70832943
1-nitro-4-(1-phenylethyl)benzene
CID 11790935
(4-nitrophenyl)-[(R)-phenoxy(phenyl)methyl]diazene
CID 7088618
(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
(4-nitrophenyl)-phenylmethanamine
CID 19975165
3-(4-nitrophenoxy)-1-phenylpropan-1-amine
CID 173162895
(4-nitrophenyl) 2-bromo-2-phenylacetate
CID 174215654
1-[benzhydrylsulfanyl(phenyl)methyl]-4-nitrobenzene
CID 172821851

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryloxy-4-nitrobenzene?
The IUPAC name of 1-benzhydryloxy-4-nitrobenzene (CID 7434051) is 1-benzhydryloxy-4-nitrobenzene.
What is the SMILES notation for 1-benzhydryloxy-4-nitrobenzene?
The canonical SMILES for 1-benzhydryloxy-4-nitrobenzene is O=[N+]([O-])c1ccc(OC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-benzhydryloxy-4-nitrobenzene?
The InChIKey is RBBLKGWJAPYZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c21-20(22)17-11-13-18(14-12-17)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H.
What are the key properties of 1-benzhydryloxy-4-nitrobenzene?
1-benzhydryloxy-4-nitrobenzene has a molecular weight of 305.33 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryloxy-4-nitrobenzene is sourced from PubChem (CID 7434051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).