3-[2-(3-methoxyphenyl)-3-(methylamino)prop-1-enyl]phenol

C17H19NO2 — CID 70351351

IUPAC3-[2-(3-methoxyphenyl)-3-(methylamino)prop-1-enyl]phenol
SMILESCNCC(=Cc1cccc(O)c1)c1cccc(OC)c1
InChIInChI=1S/C17H19NO2/c1-18-12-15(9-13-5-3-7-16(19)10-13)14-6-4-8-17(11-14)20-2/h3-11,18-19H,12H2,1-2H3
InChIKeyQNVSXNRVKBQVCP-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.16
Rot. Bonds5

About 3-[2-(3-methoxyphenyl)-3-(methylamino)prop-1-enyl]phenol

3-[2-(3-methoxyphenyl)-3-(methylamino)prop-1-enyl]phenol (PubChem CID 70351351) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)-3-(methylamino)prop-1-enyl]phenol.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)-3-(methylamino)prop-1-enyl]phenol
PubChem CID70351351
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-[2-(3-methoxyphenyl)-3-(methylamino)prop-1-enyl]phenol
SMILESCNCC(=Cc1cccc(O)c1)c1cccc(OC)c1
InChIInChI=1S/C17H19NO2/c1-18-12-15(9-13-5-3-7-16(19)10-13)14-6-4-8-17(11-14)20-2/h3-11,18-19H,12H2,1-2H3
InChIKeyQNVSXNRVKBQVCP-UHFFFAOYSA-N
XLogP3.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-pent-2-en-3-ylbenzene
CID 54347548
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
3-[(E)-2-(4-hydroxyphenyl)-3-(3-methoxyphenyl)prop-2-enoxy]-4-methylphenol
CID 143202210
sodium 3-methoxyphenol
CID 19079440
ethane;3-methoxyphenol
CID 142018283
(Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile
CID 10945343
(E)-3-fluoro-2-(3-methoxyphenyl)prop-2-en-1-ol
CID 13320085
(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
3-[(E)-2-pyridin-4-ylbut-1-enyl]phenol
CID 6172556
2-[2-hydroxy-2-(3-methoxyphenyl)ethenyl]phenol
CID 141465495
3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79329386

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)-3-(methylamino)prop-1-enyl]phenol?
The IUPAC name of 3-[2-(3-methoxyphenyl)-3-(methylamino)prop-1-enyl]phenol (CID 70351351) is 3-[2-(3-methoxyphenyl)-3-(methylamino)prop-1-enyl]phenol.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)-3-(methylamino)prop-1-enyl]phenol?
The canonical SMILES for 3-[2-(3-methoxyphenyl)-3-(methylamino)prop-1-enyl]phenol is CNCC(=Cc1cccc(O)c1)c1cccc(OC)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)-3-(methylamino)prop-1-enyl]phenol?
The InChIKey is QNVSXNRVKBQVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-18-12-15(9-13-5-3-7-16(19)10-13)14-6-4-8-17(11-14)20-2/h3-11,18-19H,12H2,1-2H3.
What are the key properties of 3-[2-(3-methoxyphenyl)-3-(methylamino)prop-1-enyl]phenol?
3-[2-(3-methoxyphenyl)-3-(methylamino)prop-1-enyl]phenol has a molecular weight of 269.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)-3-(methylamino)prop-1-enyl]phenol is sourced from PubChem (CID 70351351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).