(4-aminophenyl)methanol;(4-nitrophenyl) hydrogen carbonate

C14H14N2O6 — CID 174217270

IUPAC(4-aminophenyl)methanol;(4-nitrophenyl) hydrogen carbonate
SMILESNc1ccc(CO)cc1.O=C(O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H5NO5.C7H9NO/c9-7(10)13-6-3-1-5(2-4-6)8(11)12;8-7-3-1-6(5-9)2-4-7/h1-4H,(H,9,10);1-4,9H,5,8H2
InChIKeyYHDJLSFFZWDLFX-UHFFFAOYSA-N
MW306.27 g/mol
LogP2.41
Rot. Bonds3

About (4-aminophenyl)methanol;(4-nitrophenyl) hydrogen carbonate

(4-aminophenyl)methanol;(4-nitrophenyl) hydrogen carbonate (PubChem CID 174217270) has the molecular formula C14H14N2O6 and a molecular weight of 306.27 g/mol. Its IUPAC name is (4-aminophenyl)methanol;(4-nitrophenyl) hydrogen carbonate.

Molecular Properties

Compound Name(4-aminophenyl)methanol;(4-nitrophenyl) hydrogen carbonate
PubChem CID174217270
Molecular FormulaC14H14N2O6
Molecular Weight306.27 g/mol
Exact Mass306.09
IUPAC Name(4-aminophenyl)methanol;(4-nitrophenyl) hydrogen carbonate
SMILESNc1ccc(CO)cc1.O=C(O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H5NO5.C7H9NO/c9-7(10)13-6-3-1-5(2-4-6)8(11)12;8-7-3-1-6(5-9)2-4-7/h1-4H,(H,9,10);1-4,9H,5,8H2
InChIKeyYHDJLSFFZWDLFX-UHFFFAOYSA-N
XLogP2.41
TPSA135.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

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sodium;hydrogen carbonate;(4-nitrophenyl) hydrogen carbonate
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CID 175055762
[4-[(4-nitrophenyl)methyl]phenyl]methanol
CID 118428999
(4-aminophenyl)methyl acetate;(4-nitrophenyl)methyl acetate
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CID 86177986
[2-(4-nitrophenoxy)-2-oxoethyl] 2-(4-nitrophenyl)acetate
CID 175037095
hexadecanoic acid;(4-nitrophenyl) hydrogen carbonate
CID 68584643
bis(4-nitrophenyl) carbonate;propanedioic acid
CID 87576808
(4-nitrophenyl) (Z)-4-amino-4-oxobut-2-enoate
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3-(4-nitrophenoxy)-3-oxopropanoic acid
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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)methanol;(4-nitrophenyl) hydrogen carbonate?
The IUPAC name of (4-aminophenyl)methanol;(4-nitrophenyl) hydrogen carbonate (CID 174217270) is (4-aminophenyl)methanol;(4-nitrophenyl) hydrogen carbonate.
What is the SMILES notation for (4-aminophenyl)methanol;(4-nitrophenyl) hydrogen carbonate?
The canonical SMILES for (4-aminophenyl)methanol;(4-nitrophenyl) hydrogen carbonate is Nc1ccc(CO)cc1.O=C(O)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-aminophenyl)methanol;(4-nitrophenyl) hydrogen carbonate?
The InChIKey is YHDJLSFFZWDLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO5.C7H9NO/c9-7(10)13-6-3-1-5(2-4-6)8(11)12;8-7-3-1-6(5-9)2-4-7/h1-4H,(H,9,10);1-4,9H,5,8H2.
What are the key properties of (4-aminophenyl)methanol;(4-nitrophenyl) hydrogen carbonate?
(4-aminophenyl)methanol;(4-nitrophenyl) hydrogen carbonate has a molecular weight of 306.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)methanol;(4-nitrophenyl) hydrogen carbonate is sourced from PubChem (CID 174217270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).