1-[(4-methoxyphenyl)methoxymethyl]-4-nitro-2-prop-2-enoxybenzene

C18H19NO5 — CID 11416222

IUPAC1-[(4-methoxyphenyl)methoxymethyl]-4-nitro-2-prop-2-enoxybenzene
SMILESC=CCOc1cc([N+](=O)[O-])ccc1COCc1ccc(OC)cc1
InChIInChI=1S/C18H19NO5/c1-3-10-24-18-11-16(19(20)21)7-6-15(18)13-23-12-14-4-8-17(22-2)9-5-14/h3-9,11H,1,10,12-13H2,2H3
InChIKeyRYTLSTVZDYQRSH-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.88
Rot. Bonds9

About 1-[(4-methoxyphenyl)methoxymethyl]-4-nitro-2-prop-2-enoxybenzene

1-[(4-methoxyphenyl)methoxymethyl]-4-nitro-2-prop-2-enoxybenzene (PubChem CID 11416222) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methoxymethyl]-4-nitro-2-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methoxymethyl]-4-nitro-2-prop-2-enoxybenzene
PubChem CID11416222
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name1-[(4-methoxyphenyl)methoxymethyl]-4-nitro-2-prop-2-enoxybenzene
SMILESC=CCOc1cc([N+](=O)[O-])ccc1COCc1ccc(OC)cc1
InChIInChI=1S/C18H19NO5/c1-3-10-24-18-11-16(19(20)21)7-6-15(18)13-23-12-14-4-8-17(22-2)9-5-14/h3-9,11H,1,10,12-13H2,2H3
InChIKeyRYTLSTVZDYQRSH-UHFFFAOYSA-N
XLogP3.88
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methoxymethyl]-4-nitro-2-prop-2-enoxybenzene?
The IUPAC name of 1-[(4-methoxyphenyl)methoxymethyl]-4-nitro-2-prop-2-enoxybenzene (CID 11416222) is 1-[(4-methoxyphenyl)methoxymethyl]-4-nitro-2-prop-2-enoxybenzene.
What is the SMILES notation for 1-[(4-methoxyphenyl)methoxymethyl]-4-nitro-2-prop-2-enoxybenzene?
The canonical SMILES for 1-[(4-methoxyphenyl)methoxymethyl]-4-nitro-2-prop-2-enoxybenzene is C=CCOc1cc([N+](=O)[O-])ccc1COCc1ccc(OC)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methoxymethyl]-4-nitro-2-prop-2-enoxybenzene?
The InChIKey is RYTLSTVZDYQRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-3-10-24-18-11-16(19(20)21)7-6-15(18)13-23-12-14-4-8-17(22-2)9-5-14/h3-9,11H,1,10,12-13H2,2H3.
What are the key properties of 1-[(4-methoxyphenyl)methoxymethyl]-4-nitro-2-prop-2-enoxybenzene?
1-[(4-methoxyphenyl)methoxymethyl]-4-nitro-2-prop-2-enoxybenzene has a molecular weight of 329.35 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methoxymethyl]-4-nitro-2-prop-2-enoxybenzene is sourced from PubChem (CID 11416222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).