2-[(E)-3-[di(propan-2-yl)amino]-1-phenylprop-2-enyl]-4-ethylphenol

C23H31NO — CID 143979868

IUPAC2-[(E)-3-[di(propan-2-yl)amino]-1-phenylprop-2-enyl]-4-ethylphenol
SMILESCCc1ccc(O)c(C(/C=C/N(C(C)C)C(C)C)c2ccccc2)c1
InChIInChI=1S/C23H31NO/c1-6-19-12-13-23(25)22(16-19)21(20-10-8-7-9-11-20)14-15-24(17(2)3)18(4)5/h7-18,21,25H,6H2,1-5H3/b15-14+
InChIKeyFDCOWGJURYCAKH-CCEZHUSRSA-N
MW337.51 g/mol
LogP5.72
Rot. Bonds7

About 2-[(E)-3-[di(propan-2-yl)amino]-1-phenylprop-2-enyl]-4-ethylphenol

2-[(E)-3-[di(propan-2-yl)amino]-1-phenylprop-2-enyl]-4-ethylphenol (PubChem CID 143979868) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 2-[(E)-3-[di(propan-2-yl)amino]-1-phenylprop-2-enyl]-4-ethylphenol.

Molecular Properties

Compound Name2-[(E)-3-[di(propan-2-yl)amino]-1-phenylprop-2-enyl]-4-ethylphenol
PubChem CID143979868
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name2-[(E)-3-[di(propan-2-yl)amino]-1-phenylprop-2-enyl]-4-ethylphenol
SMILESCCc1ccc(O)c(C(/C=C/N(C(C)C)C(C)C)c2ccccc2)c1
InChIInChI=1S/C23H31NO/c1-6-19-12-13-23(25)22(16-19)21(20-10-8-7-9-11-20)14-15-24(17(2)3)18(4)5/h7-18,21,25H,6H2,1-5H3/b15-14+
InChIKeyFDCOWGJURYCAKH-CCEZHUSRSA-N
XLogP5.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol
CID 23019029
2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-ethylphenol
CID 22677023
4-ethyl-2-[2-(1-methylpiperidin-2-yl)-1-phenylethyl]phenol;hydron;bromide
CID 157458003
2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol
CID 43684152
4-[2-[di(propan-2-yl)amino]ethyl]-2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]phenol;hydrochloride
CID 18357394
1-ethyl-3-(2,2,2-trifluoro-1-phenylethyl)benzene
CID 57169339
1-ethyl-3-(1-phenylpropan-2-yl)benzene
CID 91139007
2-(5-ethyl-2-hydroxyphenyl)butanenitrile
CID 130134665
2-amino-2-(5-ethyl-2-hydroxyphenyl)acetonitrile
CID 130061052
2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(propan-2-yloxymethyl)phenol
CID 22735213
2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde
CID 159871714
2-(5-bromo-2-hydroxyphenyl)-2-phenylacetaldehyde
CID 159871712

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-[di(propan-2-yl)amino]-1-phenylprop-2-enyl]-4-ethylphenol?
The IUPAC name of 2-[(E)-3-[di(propan-2-yl)amino]-1-phenylprop-2-enyl]-4-ethylphenol (CID 143979868) is 2-[(E)-3-[di(propan-2-yl)amino]-1-phenylprop-2-enyl]-4-ethylphenol.
What is the SMILES notation for 2-[(E)-3-[di(propan-2-yl)amino]-1-phenylprop-2-enyl]-4-ethylphenol?
The canonical SMILES for 2-[(E)-3-[di(propan-2-yl)amino]-1-phenylprop-2-enyl]-4-ethylphenol is CCc1ccc(O)c(C(/C=C/N(C(C)C)C(C)C)c2ccccc2)c1.
What is the InChIKey of 2-[(E)-3-[di(propan-2-yl)amino]-1-phenylprop-2-enyl]-4-ethylphenol?
The InChIKey is FDCOWGJURYCAKH-CCEZHUSRSA-N. The full InChI is InChI=1S/C23H31NO/c1-6-19-12-13-23(25)22(16-19)21(20-10-8-7-9-11-20)14-15-24(17(2)3)18(4)5/h7-18,21,25H,6H2,1-5H3/b15-14+.
What are the key properties of 2-[(E)-3-[di(propan-2-yl)amino]-1-phenylprop-2-enyl]-4-ethylphenol?
2-[(E)-3-[di(propan-2-yl)amino]-1-phenylprop-2-enyl]-4-ethylphenol has a molecular weight of 337.51 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-[di(propan-2-yl)amino]-1-phenylprop-2-enyl]-4-ethylphenol is sourced from PubChem (CID 143979868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).