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

C14H12N2O5 — CID 69145418

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

About [3-methyl-4-(4-nitrophenoxy)phenyl]carbamic acid

[3-methyl-4-(4-nitrophenoxy)phenyl]carbamic acid (PubChem CID 69145418) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is [3-methyl-4-(4-nitrophenoxy)phenyl]carbamic acid.

Molecular Properties

Compound Name[3-methyl-4-(4-nitrophenoxy)phenyl]carbamic acid
PubChem CID69145418
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name[3-methyl-4-(4-nitrophenoxy)phenyl]carbamic acid
SMILESCc1cc(NC(=O)O)ccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O5/c1-9-8-10(15-14(17)18)2-7-13(9)21-12-5-3-11(4-6-12)16(19)20/h2-8,15H,1H3,(H,17,18)
InChIKeyGZRLCAICBIZVOI-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

[4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid
CID 69143527
N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide
CID 58929108
1-(diethylamino)-3-[4-(2-methyl-4-nitrophenoxy)phenyl]urea
CID 69345061
N-[4-(4-nitrophenoxy)phenyl]acetamide
CID 139084350
[2-methyl-1-[4-(2-methyl-4-nitrophenoxy)phenyl]propan-2-yl]carbamic acid
CID 90686642
N-[4-(4-nitrophenoxy)-3-(trifluoromethyl)phenyl]carbamate
CID 69143330
2-chloro-5-(2-methyl-4-nitrophenoxy)benzoic acid
CID 106502842
phenyl N-(3-methyl-4-phenoxyphenyl)carbamate
CID 139442804
2-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-nitrobenzamide
CID 60581315
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
1,4-dimethyl-2-(4-nitrophenoxy)benzene
CID 22164458
3-methoxy-4-(4-nitrophenoxy)benzoic acid
CID 61395589

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(4-nitrophenoxy)phenyl]carbamic acid?
The IUPAC name of [3-methyl-4-(4-nitrophenoxy)phenyl]carbamic acid (CID 69145418) is [3-methyl-4-(4-nitrophenoxy)phenyl]carbamic acid.
What is the SMILES notation for [3-methyl-4-(4-nitrophenoxy)phenyl]carbamic acid?
The canonical SMILES for [3-methyl-4-(4-nitrophenoxy)phenyl]carbamic acid is Cc1cc(NC(=O)O)ccc1Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [3-methyl-4-(4-nitrophenoxy)phenyl]carbamic acid?
The InChIKey is GZRLCAICBIZVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-9-8-10(15-14(17)18)2-7-13(9)21-12-5-3-11(4-6-12)16(19)20/h2-8,15H,1H3,(H,17,18).
What are the key properties of [3-methyl-4-(4-nitrophenoxy)phenyl]carbamic acid?
[3-methyl-4-(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 [3-methyl-4-(4-nitrophenoxy)phenyl]carbamic acid is sourced from PubChem (CID 69145418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).