(5R)-5-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)cyclohex-2-en-1-one

C20H20O2S — CID 42628085

IUPAC(5R)-5-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)cyclohex-2-en-1-one
SMILESCOc1ccc([C@H]2CC(=O)C=C(c3ccc(SC)cc3)C2)cc1
InChIInChI=1S/C20H20O2S/c1-22-19-7-3-14(4-8-19)16-11-17(13-18(21)12-16)15-5-9-20(23-2)10-6-15/h3-10,13,16H,11-12H2,1-2H3/t16-/m1/s1
InChIKeyPFIMYZAXECDNGF-MRXNPFEDSA-N
MW324.45 g/mol
LogP4.95
Rot. Bonds4

About (5R)-5-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)cyclohex-2-en-1-one

(5R)-5-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)cyclohex-2-en-1-one (PubChem CID 42628085) has the molecular formula C20H20O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is (5R)-5-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-5-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)cyclohex-2-en-1-one
PubChem CID42628085
Molecular FormulaC20H20O2S
Molecular Weight324.45 g/mol
Exact Mass324.12
IUPAC Name(5R)-5-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)cyclohex-2-en-1-one
SMILESCOc1ccc([C@H]2CC(=O)C=C(c3ccc(SC)cc3)C2)cc1
InChIInChI=1S/C20H20O2S/c1-22-19-7-3-14(4-8-19)16-11-17(13-18(21)12-16)15-5-9-20(23-2)10-6-15/h3-10,13,16H,11-12H2,1-2H3/t16-/m1/s1
InChIKeyPFIMYZAXECDNGF-MRXNPFEDSA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-5-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)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

3-(4-Methoxyphenyl)-5-phenyl-2-cyclohexen-1-one
CID 2878770
2-(4-methoxyphenyl)-4H-thiochromen-4-one
CID 2324877
3-(Benzenesulfonyl)-3-(4-methoxyphenyl)-1-phenyl-1-propanone
CID 3135155
(2E)-1-(4-ethoxyphenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one
CID 5378514
(Z)-3-(4-methoxybenzylidene)thiochroman-4-one
CID 6364803
4-(4-Methoxyphenyl)cyclohexanone
CID 10976581
3,5-Bis(4-methoxyphenyl)-2-cyclohexen-1-one
CID 2879253
2-[2-[4-(4-Methoxyphenyl)phenyl]sulfanylphenyl]acetic acid
CID 24944977
(E)-1-(3-methoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 5346051
(E)-1-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 5378221
1-(4-Methoxyphenyl)-2-((3-methoxyphenyl)thio) ethanone
CID 10108176
2-(Benzenesulfonylmethyl)-5-(4-methoxyphenyl)cyclohexane-1,3-dione
CID 2768907

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)cyclohex-2-en-1-one?
The IUPAC name of (5R)-5-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)cyclohex-2-en-1-one (CID 42628085) is (5R)-5-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)cyclohex-2-en-1-one.
What is the SMILES notation for (5R)-5-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)cyclohex-2-en-1-one?
The canonical SMILES for (5R)-5-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)cyclohex-2-en-1-one is COc1ccc([C@H]2CC(=O)C=C(c3ccc(SC)cc3)C2)cc1.
What is the InChIKey of (5R)-5-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)cyclohex-2-en-1-one?
The InChIKey is PFIMYZAXECDNGF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20O2S/c1-22-19-7-3-14(4-8-19)16-11-17(13-18(21)12-16)15-5-9-20(23-2)10-6-15/h3-10,13,16H,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (5R)-5-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)cyclohex-2-en-1-one?
(5R)-5-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)cyclohex-2-en-1-one has a molecular weight of 324.45 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 42628085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).