4-(2-hydroxypropyl)-2-(4-methoxy-3-prop-2-enylphenyl)-6-nitrophenol

C19H21NO5 — CID 53392956

IUPAC4-(2-hydroxypropyl)-2-(4-methoxy-3-prop-2-enylphenyl)-6-nitrophenol
SMILESC=CCc1cc(-c2cc(CC(C)O)cc([N+](=O)[O-])c2O)ccc1OC
InChIInChI=1S/C19H21NO5/c1-4-5-15-11-14(6-7-18(15)25-3)16-9-13(8-12(2)21)10-17(19(16)22)20(23)24/h4,6-7,9-12,21-22H,1,5,8H2,2-3H3
InChIKeyBSZABDYZLMEGIM-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.63
Rot. Bonds7

About 4-(2-hydroxypropyl)-2-(4-methoxy-3-prop-2-enylphenyl)-6-nitrophenol

4-(2-hydroxypropyl)-2-(4-methoxy-3-prop-2-enylphenyl)-6-nitrophenol (PubChem CID 53392956) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-(2-hydroxypropyl)-2-(4-methoxy-3-prop-2-enylphenyl)-6-nitrophenol.

Molecular Properties

Compound Name4-(2-hydroxypropyl)-2-(4-methoxy-3-prop-2-enylphenyl)-6-nitrophenol
PubChem CID53392956
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name4-(2-hydroxypropyl)-2-(4-methoxy-3-prop-2-enylphenyl)-6-nitrophenol
SMILESC=CCc1cc(-c2cc(CC(C)O)cc([N+](=O)[O-])c2O)ccc1OC
InChIInChI=1S/C19H21NO5/c1-4-5-15-11-14(6-7-18(15)25-3)16-9-13(8-12(2)21)10-17(19(16)22)20(23)24/h4,6-7,9-12,21-22H,1,5,8H2,2-3H3
InChIKeyBSZABDYZLMEGIM-UHFFFAOYSA-N
XLogP3.63
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
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 4-(2-hydroxypropyl)-2-(4-methoxy-3-prop-2-enylphenyl)-6-nitrophenol 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-methoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 11857938
[2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenyl] acetate
CID 45269977
[2-(4-hydroxy-3-nitro-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] dodecanoate
CID 155683028
N-[2-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]dodecanamide
CID 127046377
4-(2-propan-2-yloxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 54756875
magnesium;2-(bromomethyl)-4-[5-(bromomethyl)-2-methoxyphenyl]-1-methoxybenzene;ethene;iodocopper;1-methoxy-2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene;bromide
CID 157272506
4-ethyl-2-nitro-6-pent-4-en-2-ylphenol
CID 11107312
[4-(2,4-dinitrophenoxy)-3-methoxy-5-prop-2-enylphenyl]methanol
CID 126117483
1-methoxy-4-nitro-2-propan-2-yloxy-3-prop-2-enylbenzene
CID 102204451
3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-(4-methylphenyl)propanoic acid
CID 112720335
2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol
CID 73334664
3-(4-hydroxy-3-prop-2-enylphenyl)-2-methoxy-5-prop-2-enylbenzaldehyde
CID 56680360

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropyl)-2-(4-methoxy-3-prop-2-enylphenyl)-6-nitrophenol?
The IUPAC name of 4-(2-hydroxypropyl)-2-(4-methoxy-3-prop-2-enylphenyl)-6-nitrophenol (CID 53392956) is 4-(2-hydroxypropyl)-2-(4-methoxy-3-prop-2-enylphenyl)-6-nitrophenol.
What is the SMILES notation for 4-(2-hydroxypropyl)-2-(4-methoxy-3-prop-2-enylphenyl)-6-nitrophenol?
The canonical SMILES for 4-(2-hydroxypropyl)-2-(4-methoxy-3-prop-2-enylphenyl)-6-nitrophenol is C=CCc1cc(-c2cc(CC(C)O)cc([N+](=O)[O-])c2O)ccc1OC.
What is the InChIKey of 4-(2-hydroxypropyl)-2-(4-methoxy-3-prop-2-enylphenyl)-6-nitrophenol?
The InChIKey is BSZABDYZLMEGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-4-5-15-11-14(6-7-18(15)25-3)16-9-13(8-12(2)21)10-17(19(16)22)20(23)24/h4,6-7,9-12,21-22H,1,5,8H2,2-3H3.
What are the key properties of 4-(2-hydroxypropyl)-2-(4-methoxy-3-prop-2-enylphenyl)-6-nitrophenol?
4-(2-hydroxypropyl)-2-(4-methoxy-3-prop-2-enylphenyl)-6-nitrophenol has a molecular weight of 343.38 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropyl)-2-(4-methoxy-3-prop-2-enylphenyl)-6-nitrophenol is sourced from PubChem (CID 53392956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).