3-hydroxy-2-(2-methoxyphenyl)sulfanyl-5-phenylcyclohex-2-en-1-one

C19H18O3S — CID 118708880

IUPAC3-hydroxy-2-(2-methoxyphenyl)sulfanyl-5-phenylcyclohex-2-en-1-one
SMILESCOc1ccccc1SC1=C(O)CC(c2ccccc2)CC1=O
InChIInChI=1S/C19H18O3S/c1-22-17-9-5-6-10-18(17)23-19-15(20)11-14(12-16(19)21)13-7-3-2-4-8-13/h2-10,14,20H,11-12H2,1H3
InChIKeyMJBGSICKYFKUFM-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.70
Rot. Bonds4

About 3-hydroxy-2-(2-methoxyphenyl)sulfanyl-5-phenylcyclohex-2-en-1-one

3-hydroxy-2-(2-methoxyphenyl)sulfanyl-5-phenylcyclohex-2-en-1-one (PubChem CID 118708880) has the molecular formula C19H18O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-hydroxy-2-(2-methoxyphenyl)sulfanyl-5-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(2-methoxyphenyl)sulfanyl-5-phenylcyclohex-2-en-1-one
PubChem CID118708880
Molecular FormulaC19H18O3S
Molecular Weight326.42 g/mol
Exact Mass326.10
IUPAC Name3-hydroxy-2-(2-methoxyphenyl)sulfanyl-5-phenylcyclohex-2-en-1-one
SMILESCOc1ccccc1SC1=C(O)CC(c2ccccc2)CC1=O
InChIInChI=1S/C19H18O3S/c1-22-17-9-5-6-10-18(17)23-19-15(20)11-14(12-16(19)21)13-7-3-2-4-8-13/h2-10,14,20H,11-12H2,1H3
InChIKeyMJBGSICKYFKUFM-UHFFFAOYSA-N
XLogP4.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Methoxyphenyl)-1-phenyl-3-phenylsulfanylpropan-1-one
CID 11727777
(R)-5-(4-methoxyphenyl)-3-(4-(methylthio)phenyl)cyclohex-2-enone
CID 42628085
3-(4-Methoxyphenyl)-1-(4-methoxyphenyl)-3-phenylsulphanylpropan-1-one
CID 53494870
4-Hydroxy-3-[(4-methoxyphenyl)sulfanylmethyl]naphthalene-1,2-dione
CID 71569074
2-(2-Chlorophenyl)sulfanyl-3-hydroxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 118708926
3-Phenyl-1-(4-methoxyphenyl)-3-phenylsulphanylpropan-1-one
CID 56672127
3-Hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-5,5-dimethylcyclohex-2-en-1-one
CID 177249737
Dibenzo(b,e)thiepin-11-acetic acid, 6,11-dihydro-4-methoxy-
CID 3067921
methyl (3R)-3-[3-hydroxy-6-[(2-methoxyphenyl)sulfanylmethyl]-4-oxopyran-2-yl]-3-(3-hydroxyphenyl)propanoate
CID 97045958
3-Hydroxy-2-(2-hydroxyphenyl)sulfanyl-5-phenylcyclohex-2-en-1-one
CID 118708879
3-Hydroxy-2-(3-methoxyphenyl)sulfanyl-5-phenylcyclohex-2-en-1-one
CID 118708891
3-Hydroxy-5-phenyl-2-[3-(trifluoromethoxy)phenyl]sulfanylcyclohex-2-en-1-one
CID 118708892

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-methoxyphenyl)sulfanyl-5-phenylcyclohex-2-en-1-one?
The IUPAC name of 3-hydroxy-2-(2-methoxyphenyl)sulfanyl-5-phenylcyclohex-2-en-1-one (CID 118708880) is 3-hydroxy-2-(2-methoxyphenyl)sulfanyl-5-phenylcyclohex-2-en-1-one.
What is the SMILES notation for 3-hydroxy-2-(2-methoxyphenyl)sulfanyl-5-phenylcyclohex-2-en-1-one?
The canonical SMILES for 3-hydroxy-2-(2-methoxyphenyl)sulfanyl-5-phenylcyclohex-2-en-1-one is COc1ccccc1SC1=C(O)CC(c2ccccc2)CC1=O.
What is the InChIKey of 3-hydroxy-2-(2-methoxyphenyl)sulfanyl-5-phenylcyclohex-2-en-1-one?
The InChIKey is MJBGSICKYFKUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3S/c1-22-17-9-5-6-10-18(17)23-19-15(20)11-14(12-16(19)21)13-7-3-2-4-8-13/h2-10,14,20H,11-12H2,1H3.
What are the key properties of 3-hydroxy-2-(2-methoxyphenyl)sulfanyl-5-phenylcyclohex-2-en-1-one?
3-hydroxy-2-(2-methoxyphenyl)sulfanyl-5-phenylcyclohex-2-en-1-one has a molecular weight of 326.42 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-methoxyphenyl)sulfanyl-5-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 118708880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).