(6R)-3-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-(2-phenylethyl)cyclohex-2-en-1-one

C24H26O2 — CID 1377168

IUPAC(6R)-3-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-(2-phenylethyl)cyclohex-2-en-1-one
SMILESCCOc1ccc(/C=C/C2=CC(=O)[C@H](CCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H26O2/c1-2-26-23-16-12-20(13-17-23)8-9-21-11-15-22(24(25)18-21)14-10-19-6-4-3-5-7-19/h3-9,12-13,16-18,22H,2,10-11,14-15H2,1H3/b9-8+/t22-/m1/s1
InChIKeyCZHBNSWWWKDMAY-HYGBKTPJSA-N
MW346.47 g/mol
LogP5.64
Rot. Bonds7

About (6R)-3-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-(2-phenylethyl)cyclohex-2-en-1-one

(6R)-3-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-(2-phenylethyl)cyclohex-2-en-1-one (PubChem CID 1377168) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is (6R)-3-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-(2-phenylethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(6R)-3-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-(2-phenylethyl)cyclohex-2-en-1-one
PubChem CID1377168
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name(6R)-3-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-(2-phenylethyl)cyclohex-2-en-1-one
SMILESCCOc1ccc(/C=C/C2=CC(=O)[C@H](CCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H26O2/c1-2-26-23-16-12-20(13-17-23)8-9-21-11-15-22(24(25)18-21)14-10-19-6-4-3-5-7-19/h3-9,12-13,16-18,22H,2,10-11,14-15H2,1H3/b9-8+/t22-/m1/s1
InChIKeyCZHBNSWWWKDMAY-HYGBKTPJSA-N
XLogP5.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6R)-3-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-(2-phenylethyl)cyclohex-2-en-1-one 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

1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
1-benzyl-5-[(E)-2-(4-ethoxyphenyl)ethenyl]pyrrolidin-2-one
CID 132510409
6-benzyl-3-ethoxycyclohex-2-en-1-one
CID 12735113
6-butyl-3-(4-ethoxyphenyl)cyclohex-2-en-1-one
CID 54046246
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline
CID 70499270
1-ethoxy-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene
CID 58699069
5-[(4-ethoxyphenyl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3795048
(5E)-2-[(4-ethoxyanilino)methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one
CID 5467980
1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene
CID 22662535
[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine
CID 142082081
ethoxybenzene chloride
CID 21193593
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline
CID 122211085

Frequently Asked Questions

What is the IUPAC name of (6R)-3-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-(2-phenylethyl)cyclohex-2-en-1-one?
The IUPAC name of (6R)-3-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-(2-phenylethyl)cyclohex-2-en-1-one (CID 1377168) is (6R)-3-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-(2-phenylethyl)cyclohex-2-en-1-one.
What is the SMILES notation for (6R)-3-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-(2-phenylethyl)cyclohex-2-en-1-one?
The canonical SMILES for (6R)-3-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-(2-phenylethyl)cyclohex-2-en-1-one is CCOc1ccc(/C=C/C2=CC(=O)[C@H](CCc3ccccc3)CC2)cc1.
What is the InChIKey of (6R)-3-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-(2-phenylethyl)cyclohex-2-en-1-one?
The InChIKey is CZHBNSWWWKDMAY-HYGBKTPJSA-N. The full InChI is InChI=1S/C24H26O2/c1-2-26-23-16-12-20(13-17-23)8-9-21-11-15-22(24(25)18-21)14-10-19-6-4-3-5-7-19/h3-9,12-13,16-18,22H,2,10-11,14-15H2,1H3/b9-8+/t22-/m1/s1.
What are the key properties of (6R)-3-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-(2-phenylethyl)cyclohex-2-en-1-one?
(6R)-3-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-(2-phenylethyl)cyclohex-2-en-1-one has a molecular weight of 346.47 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-(2-phenylethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 1377168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).