phenoxy(1-phenylhex-5-en-3-yloxy)methanethione

C19H20O2S — CID 15757484

IUPACphenoxy(1-phenylhex-5-en-3-yloxy)methanethione
SMILESC=CCC(CCc1ccccc1)OC(=S)Oc1ccccc1
InChIInChI=1S/C19H20O2S/c1-2-9-17(15-14-16-10-5-3-6-11-16)20-19(22)21-18-12-7-4-8-13-18/h2-8,10-13,17H,1,9,14-15H2
InChIKeyZZSUDZPGOYDADC-UHFFFAOYSA-N
MW312.43 g/mol
LogP4.94
Rot. Bonds7

About phenoxy(1-phenylhex-5-en-3-yloxy)methanethione

phenoxy(1-phenylhex-5-en-3-yloxy)methanethione (PubChem CID 15757484) has the molecular formula C19H20O2S and a molecular weight of 312.43 g/mol. Its IUPAC name is phenoxy(1-phenylhex-5-en-3-yloxy)methanethione.

Molecular Properties

Compound Namephenoxy(1-phenylhex-5-en-3-yloxy)methanethione
PubChem CID15757484
Molecular FormulaC19H20O2S
Molecular Weight312.43 g/mol
Exact Mass312.12
IUPAC Namephenoxy(1-phenylhex-5-en-3-yloxy)methanethione
SMILESC=CCC(CCc1ccccc1)OC(=S)Oc1ccccc1
InChIInChI=1S/C19H20O2S/c1-2-9-17(15-14-16-10-5-3-6-11-16)20-19(22)21-18-12-7-4-8-13-18/h2-8,10-13,17H,1,9,14-15H2
InChIKeyZZSUDZPGOYDADC-UHFFFAOYSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-3-pent-4-enoxyhex-5-enyl]benzene
CID 134882651
3-(1-phenylhex-5-en-3-yloxy)butanoic acid
CID 562330
[(3R)-3-[(E)-pent-3-enoxy]hex-5-enyl]benzene
CID 101441106
[(3R)-3-bromohex-5-enyl]benzene
CID 125475823
hex-5-en-3-yloxybenzene
CID 174866865
octa-1,7-dien-4-yloxymethylbenzene
CID 90067703
[(3R)-3-phenylpent-4-enyl]benzene
CID 134979381
[(Z)-5-acetyloxy-2-methyl-7-phenylhept-2-enyl] acetate
CID 10566425
benzyl N-(1-phenylhex-5-en-3-yl)carbamate
CID 11120434
phenyl 6-hydroxy-8-phenyloctanoate
CID 561941
ethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene
CID 175241821
1-[(2R)-4-phenylbutan-2-yl]-3-prop-2-enylthiourea
CID 40600719

Frequently Asked Questions

What is the IUPAC name of phenoxy(1-phenylhex-5-en-3-yloxy)methanethione?
The IUPAC name of phenoxy(1-phenylhex-5-en-3-yloxy)methanethione (CID 15757484) is phenoxy(1-phenylhex-5-en-3-yloxy)methanethione.
What is the SMILES notation for phenoxy(1-phenylhex-5-en-3-yloxy)methanethione?
The canonical SMILES for phenoxy(1-phenylhex-5-en-3-yloxy)methanethione is C=CCC(CCc1ccccc1)OC(=S)Oc1ccccc1.
What is the InChIKey of phenoxy(1-phenylhex-5-en-3-yloxy)methanethione?
The InChIKey is ZZSUDZPGOYDADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2S/c1-2-9-17(15-14-16-10-5-3-6-11-16)20-19(22)21-18-12-7-4-8-13-18/h2-8,10-13,17H,1,9,14-15H2.
What are the key properties of phenoxy(1-phenylhex-5-en-3-yloxy)methanethione?
phenoxy(1-phenylhex-5-en-3-yloxy)methanethione has a molecular weight of 312.43 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxy(1-phenylhex-5-en-3-yloxy)methanethione is sourced from PubChem (CID 15757484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).