(5R)-5-hydroxy-1-(4-methoxyphenyl)-6-[(R)-(4-methylphenyl)sulfinyl]hexan-1-one

C20H24O4S — CID 11473884

IUPAC(5R)-5-hydroxy-1-(4-methoxyphenyl)-6-[(R)-(4-methylphenyl)sulfinyl]hexan-1-one
SMILESCOc1ccc(C(=O)CCC[C@@H](O)C[S@@](=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24O4S/c1-15-6-12-19(13-7-15)25(23)14-17(21)4-3-5-20(22)16-8-10-18(24-2)11-9-16/h6-13,17,21H,3-5,14H2,1-2H3/t17-,25-/m1/s1
InChIKeyWFCQKPAZZQRWOI-CRICUBBOSA-N
MW360.48 g/mol
LogP3.53
Rot. Bonds9

About (5R)-5-hydroxy-1-(4-methoxyphenyl)-6-[(R)-(4-methylphenyl)sulfinyl]hexan-1-one

(5R)-5-hydroxy-1-(4-methoxyphenyl)-6-[(R)-(4-methylphenyl)sulfinyl]hexan-1-one (PubChem CID 11473884) has the molecular formula C20H24O4S and a molecular weight of 360.48 g/mol. Its IUPAC name is (5R)-5-hydroxy-1-(4-methoxyphenyl)-6-[(R)-(4-methylphenyl)sulfinyl]hexan-1-one.

Molecular Properties

Compound Name(5R)-5-hydroxy-1-(4-methoxyphenyl)-6-[(R)-(4-methylphenyl)sulfinyl]hexan-1-one
PubChem CID11473884
Molecular FormulaC20H24O4S
Molecular Weight360.48 g/mol
Exact Mass360.14
IUPAC Name(5R)-5-hydroxy-1-(4-methoxyphenyl)-6-[(R)-(4-methylphenyl)sulfinyl]hexan-1-one
SMILESCOc1ccc(C(=O)CCC[C@@H](O)C[S@@](=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24O4S/c1-15-6-12-19(13-7-15)25(23)14-17(21)4-3-5-20(22)16-8-10-18(24-2)11-9-16/h6-13,17,21H,3-5,14H2,1-2H3/t17-,25-/m1/s1
InChIKeyWFCQKPAZZQRWOI-CRICUBBOSA-N
XLogP3.53
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-5-hydroxy-1-(4-methoxyphenyl)-6-[(R)-(4-methylphenyl)sulfinyl]hexan-1-one with MolForge

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Related Compounds

methyl (5S)-5-hydroxy-6-(4-methylphenyl)sulfinylhexanoate
CID 141448734
(6R)-6-hydroxy-7-[(R)-(4-methylphenyl)sulfinyl]heptan-2-one
CID 10945449
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
(2S,4R)-5-[(R)-(4-methylphenyl)sulfinyl]pentane-1,2,4-triol
CID 44545147
methyl (5R)-5-hydroxy-6-(4-methylphenyl)sulfinyl-3-oxohexanoate
CID 100993061
5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 110298184
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
(2R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]heptan-2-ol
CID 11728725
1-(4-methoxyphenyl)-8-methylnonane-1,7-dione
CID 70230200
4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one
CID 15310595
(2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 10932431

Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxy-1-(4-methoxyphenyl)-6-[(R)-(4-methylphenyl)sulfinyl]hexan-1-one?
The IUPAC name of (5R)-5-hydroxy-1-(4-methoxyphenyl)-6-[(R)-(4-methylphenyl)sulfinyl]hexan-1-one (CID 11473884) is (5R)-5-hydroxy-1-(4-methoxyphenyl)-6-[(R)-(4-methylphenyl)sulfinyl]hexan-1-one.
What is the SMILES notation for (5R)-5-hydroxy-1-(4-methoxyphenyl)-6-[(R)-(4-methylphenyl)sulfinyl]hexan-1-one?
The canonical SMILES for (5R)-5-hydroxy-1-(4-methoxyphenyl)-6-[(R)-(4-methylphenyl)sulfinyl]hexan-1-one is COc1ccc(C(=O)CCC[C@@H](O)C[S@@](=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (5R)-5-hydroxy-1-(4-methoxyphenyl)-6-[(R)-(4-methylphenyl)sulfinyl]hexan-1-one?
The InChIKey is WFCQKPAZZQRWOI-CRICUBBOSA-N. The full InChI is InChI=1S/C20H24O4S/c1-15-6-12-19(13-7-15)25(23)14-17(21)4-3-5-20(22)16-8-10-18(24-2)11-9-16/h6-13,17,21H,3-5,14H2,1-2H3/t17-,25-/m1/s1.
What are the key properties of (5R)-5-hydroxy-1-(4-methoxyphenyl)-6-[(R)-(4-methylphenyl)sulfinyl]hexan-1-one?
(5R)-5-hydroxy-1-(4-methoxyphenyl)-6-[(R)-(4-methylphenyl)sulfinyl]hexan-1-one has a molecular weight of 360.48 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxy-1-(4-methoxyphenyl)-6-[(R)-(4-methylphenyl)sulfinyl]hexan-1-one is sourced from PubChem (CID 11473884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).