(Z)-2-(3-fluorophenyl)-4-methoxy-4-methyl-3-(4-methylsulfanylphenyl)pent-2-en-1-ol

C20H23FO2S — CID 21310367

IUPAC(Z)-2-(3-fluorophenyl)-4-methoxy-4-methyl-3-(4-methylsulfanylphenyl)pent-2-en-1-ol
SMILESCOC(C)(C)/C(=C(\CO)c1cccc(F)c1)c1ccc(SC)cc1
InChIInChI=1S/C20H23FO2S/c1-20(2,23-3)19(14-8-10-17(24-4)11-9-14)18(13-22)15-6-5-7-16(21)12-15/h5-12,22H,13H2,1-4H3/b19-18+
InChIKeyWNVVCHCFXNPEIH-VHEBQXMUSA-N
MW346.47 g/mol
LogP4.88
Rot. Bonds6

About (Z)-2-(3-fluorophenyl)-4-methoxy-4-methyl-3-(4-methylsulfanylphenyl)pent-2-en-1-ol

(Z)-2-(3-fluorophenyl)-4-methoxy-4-methyl-3-(4-methylsulfanylphenyl)pent-2-en-1-ol (PubChem CID 21310367) has the molecular formula C20H23FO2S and a molecular weight of 346.47 g/mol. Its IUPAC name is (Z)-2-(3-fluorophenyl)-4-methoxy-4-methyl-3-(4-methylsulfanylphenyl)pent-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-(3-fluorophenyl)-4-methoxy-4-methyl-3-(4-methylsulfanylphenyl)pent-2-en-1-ol
PubChem CID21310367
Molecular FormulaC20H23FO2S
Molecular Weight346.47 g/mol
Exact Mass346.14
IUPAC Name(Z)-2-(3-fluorophenyl)-4-methoxy-4-methyl-3-(4-methylsulfanylphenyl)pent-2-en-1-ol
SMILESCOC(C)(C)/C(=C(\CO)c1cccc(F)c1)c1ccc(SC)cc1
InChIInChI=1S/C20H23FO2S/c1-20(2,23-3)19(14-8-10-17(24-4)11-9-14)18(13-22)15-6-5-7-16(21)12-15/h5-12,22H,13H2,1-4H3/b19-18+
InChIKeyWNVVCHCFXNPEIH-VHEBQXMUSA-N
XLogP4.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3-fluorophenyl)-4-methoxy-4-methyl-3-(4-methylsulfanylphenyl)pent-2-en-1-ol?
The IUPAC name of (Z)-2-(3-fluorophenyl)-4-methoxy-4-methyl-3-(4-methylsulfanylphenyl)pent-2-en-1-ol (CID 21310367) is (Z)-2-(3-fluorophenyl)-4-methoxy-4-methyl-3-(4-methylsulfanylphenyl)pent-2-en-1-ol.
What is the SMILES notation for (Z)-2-(3-fluorophenyl)-4-methoxy-4-methyl-3-(4-methylsulfanylphenyl)pent-2-en-1-ol?
The canonical SMILES for (Z)-2-(3-fluorophenyl)-4-methoxy-4-methyl-3-(4-methylsulfanylphenyl)pent-2-en-1-ol is COC(C)(C)/C(=C(\CO)c1cccc(F)c1)c1ccc(SC)cc1.
What is the InChIKey of (Z)-2-(3-fluorophenyl)-4-methoxy-4-methyl-3-(4-methylsulfanylphenyl)pent-2-en-1-ol?
The InChIKey is WNVVCHCFXNPEIH-VHEBQXMUSA-N. The full InChI is InChI=1S/C20H23FO2S/c1-20(2,23-3)19(14-8-10-17(24-4)11-9-14)18(13-22)15-6-5-7-16(21)12-15/h5-12,22H,13H2,1-4H3/b19-18+.
What are the key properties of (Z)-2-(3-fluorophenyl)-4-methoxy-4-methyl-3-(4-methylsulfanylphenyl)pent-2-en-1-ol?
(Z)-2-(3-fluorophenyl)-4-methoxy-4-methyl-3-(4-methylsulfanylphenyl)pent-2-en-1-ol has a molecular weight of 346.47 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3-fluorophenyl)-4-methoxy-4-methyl-3-(4-methylsulfanylphenyl)pent-2-en-1-ol is sourced from PubChem (CID 21310367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).