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

C19H20O2S — CID 134882490

IUPAC(2Z,4Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylhexa-2,4-dien-1-ol
SMILESC/C=C(C(=C\CO)/c1ccccc1)\[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C19H20O2S/c1-3-19(22(21)17-11-9-15(2)10-12-17)18(13-14-20)16-7-5-4-6-8-16/h3-13,20H,14H2,1-2H3/b18-13-,19-3-/t22-/m0/s1
InChIKeyUHXZVJUZPVOTFP-HCXCGNNLSA-N
MW312.43 g/mol
LogP4.08
Rot. Bonds5

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

(2Z,4Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylhexa-2,4-dien-1-ol (PubChem CID 134882490) has the molecular formula C19H20O2S and a molecular weight of 312.43 g/mol. Its IUPAC name is (2Z,4Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylhexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(2Z,4Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylhexa-2,4-dien-1-ol
PubChem CID134882490
Molecular FormulaC19H20O2S
Molecular Weight312.43 g/mol
Exact Mass312.12
IUPAC Name(2Z,4Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylhexa-2,4-dien-1-ol
SMILESC/C=C(C(=C\CO)/c1ccccc1)\[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C19H20O2S/c1-3-19(22(21)17-11-9-15(2)10-12-17)18(13-14-20)16-7-5-4-6-8-16/h3-13,20H,14H2,1-2H3/b18-13-,19-3-/t22-/m0/s1
InChIKeyUHXZVJUZPVOTFP-HCXCGNNLSA-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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4-methylphenyl (E)-1-methyl-2-phenylethenyl sulfone
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(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
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CID 14296288

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylhexa-2,4-dien-1-ol?
The IUPAC name of (2Z,4Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylhexa-2,4-dien-1-ol (CID 134882490) is (2Z,4Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylhexa-2,4-dien-1-ol.
What is the SMILES notation for (2Z,4Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylhexa-2,4-dien-1-ol?
The canonical SMILES for (2Z,4Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylhexa-2,4-dien-1-ol is C/C=C(C(=C\CO)/c1ccccc1)\[S@@](=O)c1ccc(C)cc1.
What is the InChIKey of (2Z,4Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylhexa-2,4-dien-1-ol?
The InChIKey is UHXZVJUZPVOTFP-HCXCGNNLSA-N. The full InChI is InChI=1S/C19H20O2S/c1-3-19(22(21)17-11-9-15(2)10-12-17)18(13-14-20)16-7-5-4-6-8-16/h3-13,20H,14H2,1-2H3/b18-13-,19-3-/t22-/m0/s1.
What are the key properties of (2Z,4Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylhexa-2,4-dien-1-ol?
(2Z,4Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylhexa-2,4-dien-1-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 (2Z,4Z)-4-[(S)-(4-methylphenyl)sulfinyl]-3-phenylhexa-2,4-dien-1-ol is sourced from PubChem (CID 134882490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).