carbonic acid;4-nitrophenol;phenylmethanol

C14H15NO7 — CID 129275137

IUPACcarbonic acid;4-nitrophenol;phenylmethanol
SMILESO=C(O)O.O=[N+]([O-])c1ccc(O)cc1.OCc1ccccc1
InChIInChI=1S/C7H8O.C6H5NO3.CH2O3/c8-6-7-4-2-1-3-5-7;8-6-3-1-5(2-4-6)7(9)10;2-1(3)4/h1-5,8H,6H2;1-4,8H;(H2,2,3,4)
InChIKeyRDJCLBYCFZAPSO-UHFFFAOYSA-N
MW309.27 g/mol
LogP2.70
Rot. Bonds2

About carbonic acid;4-nitrophenol;phenylmethanol

carbonic acid;4-nitrophenol;phenylmethanol (PubChem CID 129275137) has the molecular formula C14H15NO7 and a molecular weight of 309.27 g/mol. Its IUPAC name is carbonic acid;4-nitrophenol;phenylmethanol.

Molecular Properties

Compound Namecarbonic acid;4-nitrophenol;phenylmethanol
PubChem CID129275137
Molecular FormulaC14H15NO7
Molecular Weight309.27 g/mol
Exact Mass309.08
IUPAC Namecarbonic acid;4-nitrophenol;phenylmethanol
SMILESO=C(O)O.O=[N+]([O-])c1ccc(O)cc1.OCc1ccccc1
InChIInChI=1S/C7H8O.C6H5NO3.CH2O3/c8-6-7-4-2-1-3-5-7;8-6-3-1-5(2-4-6)7(9)10;2-1(3)4/h1-5,8H,6H2;1-4,8H;(H2,2,3,4)
InChIKeyRDJCLBYCFZAPSO-UHFFFAOYSA-N
XLogP2.70
TPSA141.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 52.70
H-Bond Donors ≤ 54
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

nitrobenzene;phenylmethanol
CID 160558550
4-nitrophenol
CID 88714583
carbonic acid;ethane-1,2-diol;nitrobenzene
CID 175059732
carbonic acid;nitrobenzene
CID 158100196
carbonic acid;nitrobenzene
CID 68662598
4-nitrophenol;phosphane
CID 157153413
[4-[(4-nitrophenyl)methyl]phenyl]methanol
CID 118428999
4-nitrophenol;propan-2-one
CID 18924338
CID 6330464
CID 6330464
calcium;hydride;4-nitrophenol
CID 173414286
carbonic acid;methane;nitrobenzene
CID 173344007
benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol
CID 160554981

Frequently Asked Questions

What is the IUPAC name of carbonic acid;4-nitrophenol;phenylmethanol?
The IUPAC name of carbonic acid;4-nitrophenol;phenylmethanol (CID 129275137) is carbonic acid;4-nitrophenol;phenylmethanol.
What is the SMILES notation for carbonic acid;4-nitrophenol;phenylmethanol?
The canonical SMILES for carbonic acid;4-nitrophenol;phenylmethanol is O=C(O)O.O=[N+]([O-])c1ccc(O)cc1.OCc1ccccc1.
What is the InChIKey of carbonic acid;4-nitrophenol;phenylmethanol?
The InChIKey is RDJCLBYCFZAPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C6H5NO3.CH2O3/c8-6-7-4-2-1-3-5-7;8-6-3-1-5(2-4-6)7(9)10;2-1(3)4/h1-5,8H,6H2;1-4,8H;(H2,2,3,4).
What are the key properties of carbonic acid;4-nitrophenol;phenylmethanol?
carbonic acid;4-nitrophenol;phenylmethanol has a molecular weight of 309.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;4-nitrophenol;phenylmethanol is sourced from PubChem (CID 129275137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).