[4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid

C14H12N2O5 — CID 69143527

IUPAC[4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid
SMILESCc1cc([N+](=O)[O-])ccc1Oc1ccc(NC(=O)O)cc1
InChIInChI=1S/C14H12N2O5/c1-9-8-11(16(19)20)4-7-13(9)21-12-5-2-10(3-6-12)15-14(17)18/h2-8,15H,1H3,(H,17,18)
InChIKeyGMBRBIRUCHXMRQ-UHFFFAOYSA-N
MW288.26 g/mol
LogP3.79
Rot. Bonds4

About [4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid

[4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid (PubChem CID 69143527) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is [4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid
PubChem CID69143527
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name[4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid
SMILESCc1cc([N+](=O)[O-])ccc1Oc1ccc(NC(=O)O)cc1
InChIInChI=1S/C14H12N2O5/c1-9-8-11(16(19)20)4-7-13(9)21-12-5-2-10(3-6-12)15-14(17)18/h2-8,15H,1H3,(H,17,18)
InChIKeyGMBRBIRUCHXMRQ-UHFFFAOYSA-N
XLogP3.79
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[3-methyl-4-(4-nitrophenoxy)phenyl]carbamic acid
CID 69145418
1-(diethylamino)-3-[4-(2-methyl-4-nitrophenoxy)phenyl]urea
CID 69345061
[2-methyl-1-[4-(2-methyl-4-nitrophenoxy)phenyl]propan-2-yl]carbamic acid
CID 90686642
2-chloro-5-(2-methyl-4-nitrophenoxy)benzoic acid
CID 106502842
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
N-[4-(4-nitrophenoxy)phenyl]acetamide
CID 139084350
3-methyl-5-(2-methyl-4-nitrophenoxy)phenol
CID 107680644
N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide
CID 58929108
2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine
CID 155663614
[5-(2-methyl-4-nitrophenoxy)-2-pyridinyl]methanol
CID 69259295
methyl 4-[[2-(2-methyl-4-nitrophenoxy)acetyl]amino]benzoate
CID 1406620
[3-(2-methyl-4-nitrophenoxy)phenyl] N-tert-butylcarbamate
CID 141158275

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid?
The IUPAC name of [4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid (CID 69143527) is [4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid.
What is the SMILES notation for [4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid?
The canonical SMILES for [4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid is Cc1cc([N+](=O)[O-])ccc1Oc1ccc(NC(=O)O)cc1.
What is the InChIKey of [4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid?
The InChIKey is GMBRBIRUCHXMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-9-8-11(16(19)20)4-7-13(9)21-12-5-2-10(3-6-12)15-14(17)18/h2-8,15H,1H3,(H,17,18).
What are the key properties of [4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid?
[4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid has a molecular weight of 288.26 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid is sourced from PubChem (CID 69143527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).