[(4-nitrophenyl)-phenylmethoxy] hydrogen carbonate

C14H11NO6 — CID 19760090

IUPAC[(4-nitrophenyl)-phenylmethoxy] hydrogen carbonate
SMILESO=C(O)OOC(c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11NO6/c16-14(17)21-20-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)15(18)19/h1-9,13H,(H,16,17)
InChIKeyKEBZHBGJYCDEDP-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.31
Rot. Bonds5

About [(4-nitrophenyl)-phenylmethoxy] hydrogen carbonate

[(4-nitrophenyl)-phenylmethoxy] hydrogen carbonate (PubChem CID 19760090) has the molecular formula C14H11NO6 and a molecular weight of 289.24 g/mol. Its IUPAC name is [(4-nitrophenyl)-phenylmethoxy] hydrogen carbonate.

Molecular Properties

Compound Name[(4-nitrophenyl)-phenylmethoxy] hydrogen carbonate
PubChem CID19760090
Molecular FormulaC14H11NO6
Molecular Weight289.24 g/mol
Exact Mass289.06
IUPAC Name[(4-nitrophenyl)-phenylmethoxy] hydrogen carbonate
SMILESO=C(O)OOC(c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11NO6/c16-14(17)21-20-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)15(18)19/h1-9,13H,(H,16,17)
InChIKeyKEBZHBGJYCDEDP-UHFFFAOYSA-N
XLogP3.31
TPSA98.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.31
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'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze [(4-nitrophenyl)-phenylmethoxy] hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
1-benzhydryloxy-4-nitrobenzene
CID 7434051
1-nitro-4-(1-phenylethyl)benzene
CID 11790935
(4-nitrophenyl)-phenylmethanamine
CID 19975165
4-(4-nitrophenyl)-4-phenylbutanoic acid
CID 70520346
[(1S)-2-(4-nitrophenyl)-1-phenylethyl] hydrogen carbonate
CID 155682316
ethyl 2-(4-nitrophenyl)-2-phenylacetate
CID 171639560
(2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone
CID 7816651
1-[benzhydrylsulfanyl(phenyl)methyl]-4-nitrobenzene
CID 172821851
carbonic acid;nitrobenzene
CID 68662598
carbonic acid;nitrobenzene
CID 158100196
2,2-bis(4-nitrophenyl)acetic acid
CID 12768595

Frequently Asked Questions

What is the IUPAC name of [(4-nitrophenyl)-phenylmethoxy] hydrogen carbonate?
The IUPAC name of [(4-nitrophenyl)-phenylmethoxy] hydrogen carbonate (CID 19760090) is [(4-nitrophenyl)-phenylmethoxy] hydrogen carbonate.
What is the SMILES notation for [(4-nitrophenyl)-phenylmethoxy] hydrogen carbonate?
The canonical SMILES for [(4-nitrophenyl)-phenylmethoxy] hydrogen carbonate is O=C(O)OOC(c1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [(4-nitrophenyl)-phenylmethoxy] hydrogen carbonate?
The InChIKey is KEBZHBGJYCDEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO6/c16-14(17)21-20-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)15(18)19/h1-9,13H,(H,16,17).
What are the key properties of [(4-nitrophenyl)-phenylmethoxy] hydrogen carbonate?
[(4-nitrophenyl)-phenylmethoxy] hydrogen carbonate has a molecular weight of 289.24 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-nitrophenyl)-phenylmethoxy] hydrogen carbonate is sourced from PubChem (CID 19760090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).