[3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methanol

C18H19NO5 — CID 45371698

IUPAC[3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methanol
SMILESC=CCc1cc(CO)cc(OC)c1OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H19NO5/c1-3-5-15-8-14(11-20)10-17(23-2)18(15)24-12-13-6-4-7-16(9-13)19(21)22/h3-4,6-10,20H,1,5,11-12H2,2H3
InChIKeyYQMNQBVTLQDHOE-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.40
Rot. Bonds8

About [3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methanol

[3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methanol (PubChem CID 45371698) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is [3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methanol.

Molecular Properties

Compound Name[3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methanol
PubChem CID45371698
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name[3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methanol
SMILESC=CCc1cc(CO)cc(OC)c1OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H19NO5/c1-3-5-15-8-14(11-20)10-17(23-2)18(15)24-12-13-6-4-7-16(9-13)19(21)22/h3-4,6-10,20H,1,5,11-12H2,2H3
InChIKeyYQMNQBVTLQDHOE-UHFFFAOYSA-N
XLogP3.40
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
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'}

Analyze [3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2,4-dinitrophenoxy)-3-methoxy-5-prop-2-enylphenyl]methanol
CID 126117483
[5-fluoro-3-(hydroxymethyl)-2-[(3-nitrophenyl)methoxy]phenyl]methanol
CID 112788151
4-[[3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 5100014
(5E)-5-[[3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 126134883
3-methoxy-2-[(3-nitrophenyl)methoxy]benzonitrile
CID 2973917
(3-nitrophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 5191268
[5-methoxy-2-[(3-nitrophenyl)methoxy]phenyl]methanol
CID 43267995
5-ethoxy-N-[(E)-[3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126193778
(3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol
CID 126116692
(5E)-5-[[4-[(3-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 126074714
1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]ethanone
CID 26054490
5-chloro-N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methyl]-2-methylaniline
CID 126121963

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methanol?
The IUPAC name of [3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methanol (CID 45371698) is [3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methanol.
What is the SMILES notation for [3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methanol?
The canonical SMILES for [3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methanol is C=CCc1cc(CO)cc(OC)c1OCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of [3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methanol?
The InChIKey is YQMNQBVTLQDHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-3-5-15-8-14(11-20)10-17(23-2)18(15)24-12-13-6-4-7-16(9-13)19(21)22/h3-4,6-10,20H,1,5,11-12H2,2H3.
What are the key properties of [3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methanol?
[3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methanol has a molecular weight of 329.35 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methanol is sourced from PubChem (CID 45371698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).