4-[(Z)-2-[4-[2-(dimethylamino)ethoxy]phenyl]pent-2-en-3-yl]phenol

C21H27NO2 — CID 164901766

IUPAC4-[(Z)-2-[4-[2-(dimethylamino)ethoxy]phenyl]pent-2-en-3-yl]phenol
SMILESCC/C(=C(\C)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H27NO2/c1-5-21(18-6-10-19(23)11-7-18)16(2)17-8-12-20(13-9-17)24-15-14-22(3)4/h6-13,23H,5,14-15H2,1-4H3/b21-16-
InChIKeyRJIWKFGNFYNJSI-PGMHBOJBSA-N
MW325.45 g/mol
LogP4.67
Rot. Bonds7

About 4-[(Z)-2-[4-[2-(dimethylamino)ethoxy]phenyl]pent-2-en-3-yl]phenol

4-[(Z)-2-[4-[2-(dimethylamino)ethoxy]phenyl]pent-2-en-3-yl]phenol (PubChem CID 164901766) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 4-[(Z)-2-[4-[2-(dimethylamino)ethoxy]phenyl]pent-2-en-3-yl]phenol.

Molecular Properties

Compound Name4-[(Z)-2-[4-[2-(dimethylamino)ethoxy]phenyl]pent-2-en-3-yl]phenol
PubChem CID164901766
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name4-[(Z)-2-[4-[2-(dimethylamino)ethoxy]phenyl]pent-2-en-3-yl]phenol
SMILESCC/C(=C(\C)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H27NO2/c1-5-21(18-6-10-19(23)11-7-18)16(2)17-8-12-20(13-9-17)24-15-14-22(3)4/h6-13,23H,5,14-15H2,1-4H3/b21-16-
InChIKeyRJIWKFGNFYNJSI-PGMHBOJBSA-N
XLogP4.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenyl)but-1-enyl]phenol
CID 70452979
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)but-1-enyl]phenol
CID 15819111
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]phenol;hydrochloride
CID 67944530
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenylmethoxyphenyl)but-1-enyl]phenol
CID 70684715
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-bis(4-hydroxyphenyl)pent-2-enamide
CID 68732320
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]but-1-enyl]phenol
CID 18988705
2-[4-[(E)-1,2-bis(4-fluorophenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 67476766
4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 70452870
4-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]-3-methylphenol
CID 3035644
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
bis(3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol);hydrochloride
CID 174812460
N,N-dimethyl-2-[4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenoxy]ethanamine
CID 3037296

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-[4-[2-(dimethylamino)ethoxy]phenyl]pent-2-en-3-yl]phenol?
The IUPAC name of 4-[(Z)-2-[4-[2-(dimethylamino)ethoxy]phenyl]pent-2-en-3-yl]phenol (CID 164901766) is 4-[(Z)-2-[4-[2-(dimethylamino)ethoxy]phenyl]pent-2-en-3-yl]phenol.
What is the SMILES notation for 4-[(Z)-2-[4-[2-(dimethylamino)ethoxy]phenyl]pent-2-en-3-yl]phenol?
The canonical SMILES for 4-[(Z)-2-[4-[2-(dimethylamino)ethoxy]phenyl]pent-2-en-3-yl]phenol is CC/C(=C(\C)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(Z)-2-[4-[2-(dimethylamino)ethoxy]phenyl]pent-2-en-3-yl]phenol?
The InChIKey is RJIWKFGNFYNJSI-PGMHBOJBSA-N. The full InChI is InChI=1S/C21H27NO2/c1-5-21(18-6-10-19(23)11-7-18)16(2)17-8-12-20(13-9-17)24-15-14-22(3)4/h6-13,23H,5,14-15H2,1-4H3/b21-16-.
What are the key properties of 4-[(Z)-2-[4-[2-(dimethylamino)ethoxy]phenyl]pent-2-en-3-yl]phenol?
4-[(Z)-2-[4-[2-(dimethylamino)ethoxy]phenyl]pent-2-en-3-yl]phenol has a molecular weight of 325.45 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-[4-[2-(dimethylamino)ethoxy]phenyl]pent-2-en-3-yl]phenol is sourced from PubChem (CID 164901766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).