(2R,3Z)-5-[(S)-(4-methylphenyl)sulfinyl]-4-phenylhexa-3,5-dien-2-ol

C19H20O2S — CID 134882489

IUPAC(2R,3Z)-5-[(S)-(4-methylphenyl)sulfinyl]-4-phenylhexa-3,5-dien-2-ol
SMILESC=C(/C(=C\[C@@H](C)O)c1ccccc1)[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C19H20O2S/c1-14-9-11-18(12-10-14)22(21)16(3)19(13-15(2)20)17-7-5-4-6-8-17/h4-13,15,20H,3H2,1-2H3/b19-13+/t15-,22-/m1/s1
InChIKeyRGFCVNKIUDSKAR-VRAWXEIOSA-N
MW312.43 g/mol
LogP4.08
Rot. Bonds5

About (2R,3Z)-5-[(S)-(4-methylphenyl)sulfinyl]-4-phenylhexa-3,5-dien-2-ol

(2R,3Z)-5-[(S)-(4-methylphenyl)sulfinyl]-4-phenylhexa-3,5-dien-2-ol (PubChem CID 134882489) has the molecular formula C19H20O2S and a molecular weight of 312.43 g/mol. Its IUPAC name is (2R,3Z)-5-[(S)-(4-methylphenyl)sulfinyl]-4-phenylhexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(2R,3Z)-5-[(S)-(4-methylphenyl)sulfinyl]-4-phenylhexa-3,5-dien-2-ol
PubChem CID134882489
Molecular FormulaC19H20O2S
Molecular Weight312.43 g/mol
Exact Mass312.12
IUPAC Name(2R,3Z)-5-[(S)-(4-methylphenyl)sulfinyl]-4-phenylhexa-3,5-dien-2-ol
SMILESC=C(/C(=C\[C@@H](C)O)c1ccccc1)[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C19H20O2S/c1-14-9-11-18(12-10-14)22(21)16(3)19(13-15(2)20)17-7-5-4-6-8-17/h4-13,15,20H,3H2,1-2H3/b19-13+/t15-,22-/m1/s1
InChIKeyRGFCVNKIUDSKAR-VRAWXEIOSA-N
XLogP4.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 18969768
4,4'-Bis(2-hydroxyethylthio)biphenyl
CID 2192654
(2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 10488905
(2R)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 13624105
(z)-3-Fluoro-4-phenyl-1-(p-tolylsulphonyl) but-3-en2-ol
CID 14641162
(E)-1,1-bis(benzenesulfonyl)-1-fluoro-4-phenylbut-3-en-2-ol
CID 54762908
3-(Benzenesulfonyl)-2-fluoro-1-phenylhex-2-en-1-ol
CID 134853381
(1S,2R)-1-fluoro-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]hexan-2-ol
CID 135060806
(1S,2S)-1-fluoro-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]hexan-2-ol
CID 135061281
(Z)-3-fluoro-8-tosyloct-2-en-1-ol
CID 138375718
2,2'-[Methylenebis(4,1-phenylenethio)]diethanol
CID 2054797
(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 11030797

Frequently Asked Questions

What is the IUPAC name of (2R,3Z)-5-[(S)-(4-methylphenyl)sulfinyl]-4-phenylhexa-3,5-dien-2-ol?
The IUPAC name of (2R,3Z)-5-[(S)-(4-methylphenyl)sulfinyl]-4-phenylhexa-3,5-dien-2-ol (CID 134882489) is (2R,3Z)-5-[(S)-(4-methylphenyl)sulfinyl]-4-phenylhexa-3,5-dien-2-ol.
What is the SMILES notation for (2R,3Z)-5-[(S)-(4-methylphenyl)sulfinyl]-4-phenylhexa-3,5-dien-2-ol?
The canonical SMILES for (2R,3Z)-5-[(S)-(4-methylphenyl)sulfinyl]-4-phenylhexa-3,5-dien-2-ol is C=C(/C(=C\[C@@H](C)O)c1ccccc1)[S@@](=O)c1ccc(C)cc1.
What is the InChIKey of (2R,3Z)-5-[(S)-(4-methylphenyl)sulfinyl]-4-phenylhexa-3,5-dien-2-ol?
The InChIKey is RGFCVNKIUDSKAR-VRAWXEIOSA-N. The full InChI is InChI=1S/C19H20O2S/c1-14-9-11-18(12-10-14)22(21)16(3)19(13-15(2)20)17-7-5-4-6-8-17/h4-13,15,20H,3H2,1-2H3/b19-13+/t15-,22-/m1/s1.
What are the key properties of (2R,3Z)-5-[(S)-(4-methylphenyl)sulfinyl]-4-phenylhexa-3,5-dien-2-ol?
(2R,3Z)-5-[(S)-(4-methylphenyl)sulfinyl]-4-phenylhexa-3,5-dien-2-ol has a molecular weight of 312.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3Z)-5-[(S)-(4-methylphenyl)sulfinyl]-4-phenylhexa-3,5-dien-2-ol is sourced from PubChem (CID 134882489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).