(2Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylpenta-2,4-dien-1-ol

C18H18O2S — CID 134882407

IUPAC(2Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylpenta-2,4-dien-1-ol
SMILESC=C(/C(=C\CO)c1ccccc1)[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C18H18O2S/c1-14-8-10-17(11-9-14)21(20)15(2)18(12-13-19)16-6-4-3-5-7-16/h3-12,19H,2,13H2,1H3/b18-12+/t21-/m1/s1
InChIKeyLKZWDQQHZZBXQP-MUPHDSPYSA-N
MW298.41 g/mol
LogP3.69
Rot. Bonds5

About (2Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylpenta-2,4-dien-1-ol

(2Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylpenta-2,4-dien-1-ol (PubChem CID 134882407) has the molecular formula C18H18O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is (2Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylpenta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylpenta-2,4-dien-1-ol
PubChem CID134882407
Molecular FormulaC18H18O2S
Molecular Weight298.41 g/mol
Exact Mass298.10
IUPAC Name(2Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylpenta-2,4-dien-1-ol
SMILESC=C(/C(=C\CO)c1ccccc1)[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C18H18O2S/c1-14-8-10-17(11-9-14)21(20)15(2)18(12-13-19)16-6-4-3-5-7-16/h3-12,19H,2,13H2,1H3/b18-12+/t21-/m1/s1
InChIKeyLKZWDQQHZZBXQP-MUPHDSPYSA-N
XLogP3.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.69
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 89682
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4,4'-Bis(2-hydroxyethylthio)biphenyl
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(z)-3-Fluoro-4-phenyl-1-(p-tolylsulphonyl) but-3-en2-ol
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(Z)-3-fluoro-8-tosyloct-2-en-1-ol
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2,2'-[Methylenebis(4,1-phenylenethio)]diethanol
CID 2054797
4-methylphenyl (E)-1-methyl-2-phenylethenyl sulfone
CID 6064240
(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 11030797
(E)-2-(4-methylphenyl)sulfonyl-1-phenylbut-2-ene-1,4-diol
CID 14296283
(E)-6-methyl-4-(4-methylphenyl)sulfonylhept-3-ene-2,5-diol
CID 14296286
(E)-2-(4-methylphenyl)sulfonyl-1-phenylpent-2-ene-1,4-diol
CID 14296288

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylpenta-2,4-dien-1-ol?
The IUPAC name of (2Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylpenta-2,4-dien-1-ol (CID 134882407) is (2Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylpenta-2,4-dien-1-ol.
What is the SMILES notation for (2Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylpenta-2,4-dien-1-ol?
The canonical SMILES for (2Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylpenta-2,4-dien-1-ol is C=C(/C(=C\CO)c1ccccc1)[S@@](=O)c1ccc(C)cc1.
What is the InChIKey of (2Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylpenta-2,4-dien-1-ol?
The InChIKey is LKZWDQQHZZBXQP-MUPHDSPYSA-N. The full InChI is InChI=1S/C18H18O2S/c1-14-8-10-17(11-9-14)21(20)15(2)18(12-13-19)16-6-4-3-5-7-16/h3-12,19H,2,13H2,1H3/b18-12+/t21-/m1/s1.
What are the key properties of (2Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylpenta-2,4-dien-1-ol?
(2Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylpenta-2,4-dien-1-ol has a molecular weight of 298.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylpenta-2,4-dien-1-ol is sourced from PubChem (CID 134882407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).