(4-methoxy-3-nitrophenyl) prop-2-enoate

C10H9NO5 — CID 139661081

IUPAC(4-methoxy-3-nitrophenyl) prop-2-enoate
SMILESC=CC(=O)Oc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C10H9NO5/c1-3-10(12)16-7-4-5-9(15-2)8(6-7)11(13)14/h3-6H,1H2,2H3
InChIKeyGGYMRPZIGAHVBJ-UHFFFAOYSA-N
MW223.18 g/mol
LogP1.69
Rot. Bonds4

About (4-methoxy-3-nitrophenyl) prop-2-enoate

(4-methoxy-3-nitrophenyl) prop-2-enoate (PubChem CID 139661081) has the molecular formula C10H9NO5 and a molecular weight of 223.18 g/mol. Its IUPAC name is (4-methoxy-3-nitrophenyl) prop-2-enoate.

Molecular Properties

Compound Name(4-methoxy-3-nitrophenyl) prop-2-enoate
PubChem CID139661081
Molecular FormulaC10H9NO5
Molecular Weight223.18 g/mol
Exact Mass223.05
IUPAC Name(4-methoxy-3-nitrophenyl) prop-2-enoate
SMILESC=CC(=O)Oc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C10H9NO5/c1-3-10(12)16-7-4-5-9(15-2)8(6-7)11(13)14/h3-6H,1H2,2H3
InChIKeyGGYMRPZIGAHVBJ-UHFFFAOYSA-N
XLogP1.69
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-nitro-4-(3-nitro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 102248279
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
4-(4-methoxy-3-nitrophenoxy)benzoic acid
CID 103201557
1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone
CID 103201761
(4-methoxy-2-nitrophenyl) propanoate
CID 58225888
(3,4-difluorophenyl) 4-methoxy-3-nitrobenzoate
CID 8751807
[4-(4-acetyloxy-2-nitrophenoxy)phenyl] acetate
CID 141129128
methyl (E)-4-(4-methoxy-3-nitrophenoxy)-2-methylbut-2-enoate
CID 103201508
(4-methoxy-2-nitrophenyl) 3-(2-nitrophenyl)prop-2-enoate
CID 76859394
2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide
CID 103201521
1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
CID 103201806
4-methoxy-3-nitrobenzaldehyde
CID 700608

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-nitrophenyl) prop-2-enoate?
The IUPAC name of (4-methoxy-3-nitrophenyl) prop-2-enoate (CID 139661081) is (4-methoxy-3-nitrophenyl) prop-2-enoate.
What is the SMILES notation for (4-methoxy-3-nitrophenyl) prop-2-enoate?
The canonical SMILES for (4-methoxy-3-nitrophenyl) prop-2-enoate is C=CC(=O)Oc1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of (4-methoxy-3-nitrophenyl) prop-2-enoate?
The InChIKey is GGYMRPZIGAHVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5/c1-3-10(12)16-7-4-5-9(15-2)8(6-7)11(13)14/h3-6H,1H2,2H3.
What are the key properties of (4-methoxy-3-nitrophenyl) prop-2-enoate?
(4-methoxy-3-nitrophenyl) prop-2-enoate has a molecular weight of 223.18 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-nitrophenyl) prop-2-enoate is sourced from PubChem (CID 139661081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).