[4-[(2-chlorophenyl)methoxy]-2-nitrophenoxy]-methylcarbamic acid

C15H13ClN2O6 — CID 157318885

IUPAC[4-[(2-chlorophenyl)methoxy]-2-nitrophenoxy]-methylcarbamic acid
SMILESCN(Oc1ccc(OCc2ccccc2Cl)cc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C15H13ClN2O6/c1-17(15(19)20)24-14-7-6-11(8-13(14)18(21)22)23-9-10-4-2-3-5-12(10)16/h2-8H,9H2,1H3,(H,19,20)
InChIKeyBDXWPKMKFZFBCN-UHFFFAOYSA-N
MW352.73 g/mol
LogP3.73
Rot. Bonds6

About [4-[(2-chlorophenyl)methoxy]-2-nitrophenoxy]-methylcarbamic acid

[4-[(2-chlorophenyl)methoxy]-2-nitrophenoxy]-methylcarbamic acid (PubChem CID 157318885) has the molecular formula C15H13ClN2O6 and a molecular weight of 352.73 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)methoxy]-2-nitrophenoxy]-methylcarbamic acid.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)methoxy]-2-nitrophenoxy]-methylcarbamic acid
PubChem CID157318885
Molecular FormulaC15H13ClN2O6
Molecular Weight352.73 g/mol
Exact Mass352.05
IUPAC Name[4-[(2-chlorophenyl)methoxy]-2-nitrophenoxy]-methylcarbamic acid
SMILESCN(Oc1ccc(OCc2ccccc2Cl)cc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C15H13ClN2O6/c1-17(15(19)20)24-14-7-6-11(8-13(14)18(21)22)23-9-10-4-2-3-5-12(10)16/h2-8H,9H2,1H3,(H,19,20)
InChIKeyBDXWPKMKFZFBCN-UHFFFAOYSA-N
XLogP3.73
TPSA102.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.73
LogP ≤ 53.73
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'}

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Related Compounds

4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene
CID 134122523
2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine
CID 103201604
N-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473645
2,5-bis[(2-chlorophenyl)methoxy]phenol
CID 139941911
1,2,4-tris[(2-chlorophenyl)methoxy]benzene
CID 139941968
1-[5-[(2-chlorophenyl)methoxy]-4-nitrothiophen-2-yl]ethanone
CID 115964215
1-[4-[(2-hydroxyphenyl)methoxy]-2-nitrophenyl]ethanone
CID 91863294
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064
1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene
CID 82727180
3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467
2-(2-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone
CID 61056876
methyl 2-[(2-chlorophenyl)methoxy]-5-nitrobenzoate
CID 91681745

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)methoxy]-2-nitrophenoxy]-methylcarbamic acid?
The IUPAC name of [4-[(2-chlorophenyl)methoxy]-2-nitrophenoxy]-methylcarbamic acid (CID 157318885) is [4-[(2-chlorophenyl)methoxy]-2-nitrophenoxy]-methylcarbamic acid.
What is the SMILES notation for [4-[(2-chlorophenyl)methoxy]-2-nitrophenoxy]-methylcarbamic acid?
The canonical SMILES for [4-[(2-chlorophenyl)methoxy]-2-nitrophenoxy]-methylcarbamic acid is CN(Oc1ccc(OCc2ccccc2Cl)cc1[N+](=O)[O-])C(=O)O.
What is the InChIKey of [4-[(2-chlorophenyl)methoxy]-2-nitrophenoxy]-methylcarbamic acid?
The InChIKey is BDXWPKMKFZFBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O6/c1-17(15(19)20)24-14-7-6-11(8-13(14)18(21)22)23-9-10-4-2-3-5-12(10)16/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of [4-[(2-chlorophenyl)methoxy]-2-nitrophenoxy]-methylcarbamic acid?
[4-[(2-chlorophenyl)methoxy]-2-nitrophenoxy]-methylcarbamic acid has a molecular weight of 352.73 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)methoxy]-2-nitrophenoxy]-methylcarbamic acid is sourced from PubChem (CID 157318885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).