methyl 4-[(2-nitrophenyl)methoxy]benzoate

C15H13NO5 — CID 26218557

IUPACmethyl 4-[(2-nitrophenyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H13NO5/c1-20-15(17)11-6-8-13(9-7-11)21-10-12-4-2-3-5-14(12)16(18)19/h2-9H,10H2,1H3
InChIKeyZMVVKWJPCUSSKV-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.96
Rot. Bonds5

About methyl 4-[(2-nitrophenyl)methoxy]benzoate

methyl 4-[(2-nitrophenyl)methoxy]benzoate (PubChem CID 26218557) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is methyl 4-[(2-nitrophenyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-nitrophenyl)methoxy]benzoate
PubChem CID26218557
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Namemethyl 4-[(2-nitrophenyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H13NO5/c1-20-15(17)11-6-8-13(9-7-11)21-10-12-4-2-3-5-14(12)16(18)19/h2-9H,10H2,1H3
InChIKeyZMVVKWJPCUSSKV-UHFFFAOYSA-N
XLogP2.96
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.96
H-Bond Donors ≤ 50
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

N-methyl-4-[(2-nitrophenyl)methoxy]aniline
CID 61027197
(NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 43822637
(2-nitrophenyl)methyl 4-propan-2-yloxybenzoate
CID 7193290
methyl 4-[(4-nitrophenyl)methoxy]benzoate
CID 802052
4-[(2-nitrophenyl)methoxy]benzonitrile
CID 24702711
1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanone
CID 107349549
4-ethoxy-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide
CID 7979562
N'-[4-(2-methoxyethoxy)benzoyl]-2-nitrobenzohydrazide
CID 17353581
(2-nitrophenyl)methyl 3,4-dimethoxybenzoate
CID 3965784
1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene
CID 60627121
methyl 4-[(3-acetyl-4-hydroxyphenoxy)methyl]-3-nitrobenzoate
CID 164874657
methyl 2-(2-nitrophenyl)acetate
CID 520464

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-nitrophenyl)methoxy]benzoate?
The IUPAC name of methyl 4-[(2-nitrophenyl)methoxy]benzoate (CID 26218557) is methyl 4-[(2-nitrophenyl)methoxy]benzoate.
What is the SMILES notation for methyl 4-[(2-nitrophenyl)methoxy]benzoate?
The canonical SMILES for methyl 4-[(2-nitrophenyl)methoxy]benzoate is COC(=O)c1ccc(OCc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of methyl 4-[(2-nitrophenyl)methoxy]benzoate?
The InChIKey is ZMVVKWJPCUSSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-20-15(17)11-6-8-13(9-7-11)21-10-12-4-2-3-5-14(12)16(18)19/h2-9H,10H2,1H3.
What are the key properties of methyl 4-[(2-nitrophenyl)methoxy]benzoate?
methyl 4-[(2-nitrophenyl)methoxy]benzoate has a molecular weight of 287.27 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-nitrophenyl)methoxy]benzoate is sourced from PubChem (CID 26218557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).