1-[2-(1-phenylprop-2-enoxy)ethylsulfanyl]prop-2-enylbenzene

C20H22OS — CID 67821654

IUPAC1-[2-(1-phenylprop-2-enoxy)ethylsulfanyl]prop-2-enylbenzene
SMILESC=CC(OCCSC(C=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22OS/c1-3-19(17-11-7-5-8-12-17)21-15-16-22-20(4-2)18-13-9-6-10-14-18/h3-14,19-20H,1-2,15-16H2
InChIKeyFIXHTKXKIYTPRP-UHFFFAOYSA-N
MW310.46 g/mol
LogP5.59
Rot. Bonds9

About 1-[2-(1-phenylprop-2-enoxy)ethylsulfanyl]prop-2-enylbenzene

1-[2-(1-phenylprop-2-enoxy)ethylsulfanyl]prop-2-enylbenzene (PubChem CID 67821654) has the molecular formula C20H22OS and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-[2-(1-phenylprop-2-enoxy)ethylsulfanyl]prop-2-enylbenzene.

Molecular Properties

Compound Name1-[2-(1-phenylprop-2-enoxy)ethylsulfanyl]prop-2-enylbenzene
PubChem CID67821654
Molecular FormulaC20H22OS
Molecular Weight310.46 g/mol
Exact Mass310.14
IUPAC Name1-[2-(1-phenylprop-2-enoxy)ethylsulfanyl]prop-2-enylbenzene
SMILESC=CC(OCCSC(C=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22OS/c1-3-19(17-11-7-5-8-12-17)21-15-16-22-20(4-2)18-13-9-6-10-14-18/h3-14,19-20H,1-2,15-16H2
InChIKeyFIXHTKXKIYTPRP-UHFFFAOYSA-N
XLogP5.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.46
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tridecoxyprop-2-enylbenzene
CID 139672746
1-nonadecoxyprop-2-enylbenzene
CID 139672742
[(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene
CID 141305061
1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene
CID 87154627
3-(1-phenylprop-2-enoxy)prop-1-ynylbenzene
CID 102284617
1-[2-(trifluoromethyl)prop-2-enoxy]prop-2-enylbenzene
CID 11253515
1-ethenylperoxyprop-2-enylbenzene
CID 88766923
1-methoxyprop-2-enylbenzene
CID 11029990
1-phenoxyprop-2-enylbenzene
CID 11735962
2-(1-phenylprop-2-enoxymethyl)oxirane
CID 22186254
1-[1-[1-(1-phenylprop-2-enoxy)ethylsulfanyl]ethoxy]prop-2-enylbenzene
CID 19001747
1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene
CID 46944297

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-phenylprop-2-enoxy)ethylsulfanyl]prop-2-enylbenzene?
The IUPAC name of 1-[2-(1-phenylprop-2-enoxy)ethylsulfanyl]prop-2-enylbenzene (CID 67821654) is 1-[2-(1-phenylprop-2-enoxy)ethylsulfanyl]prop-2-enylbenzene.
What is the SMILES notation for 1-[2-(1-phenylprop-2-enoxy)ethylsulfanyl]prop-2-enylbenzene?
The canonical SMILES for 1-[2-(1-phenylprop-2-enoxy)ethylsulfanyl]prop-2-enylbenzene is C=CC(OCCSC(C=C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[2-(1-phenylprop-2-enoxy)ethylsulfanyl]prop-2-enylbenzene?
The InChIKey is FIXHTKXKIYTPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22OS/c1-3-19(17-11-7-5-8-12-17)21-15-16-22-20(4-2)18-13-9-6-10-14-18/h3-14,19-20H,1-2,15-16H2.
What are the key properties of 1-[2-(1-phenylprop-2-enoxy)ethylsulfanyl]prop-2-enylbenzene?
1-[2-(1-phenylprop-2-enoxy)ethylsulfanyl]prop-2-enylbenzene has a molecular weight of 310.46 g/mol, XLogP of 5.59, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-phenylprop-2-enoxy)ethylsulfanyl]prop-2-enylbenzene is sourced from PubChem (CID 67821654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).