4-[4-[(E)-2-phenylethenyl]phenoxy]thiane

C19H20OS — CID 134126076

IUPAC4-[4-[(E)-2-phenylethenyl]phenoxy]thiane
SMILESC(=C/c1ccc(OC2CCSCC2)cc1)\c1ccccc1
InChIInChI=1S/C19H20OS/c1-2-4-16(5-3-1)6-7-17-8-10-18(11-9-17)20-19-12-14-21-15-13-19/h1-11,19H,12-15H2/b7-6+
InChIKeyUJCUCEWRMHIMNJ-VOTSOKGWSA-N
MW296.44 g/mol
LogP5.13
Rot. Bonds4

About 4-[4-[(E)-2-phenylethenyl]phenoxy]thiane

4-[4-[(E)-2-phenylethenyl]phenoxy]thiane (PubChem CID 134126076) has the molecular formula C19H20OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-[4-[(E)-2-phenylethenyl]phenoxy]thiane.

Molecular Properties

Compound Name4-[4-[(E)-2-phenylethenyl]phenoxy]thiane
PubChem CID134126076
Molecular FormulaC19H20OS
Molecular Weight296.44 g/mol
Exact Mass296.12
IUPAC Name4-[4-[(E)-2-phenylethenyl]phenoxy]thiane
SMILESC(=C/c1ccc(OC2CCSCC2)cc1)\c1ccccc1
InChIInChI=1S/C19H20OS/c1-2-4-16(5-3-1)6-7-17-8-10-18(11-9-17)20-19-12-14-21-15-13-19/h1-11,19H,12-15H2/b7-6+
InChIKeyUJCUCEWRMHIMNJ-VOTSOKGWSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.44
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[4-[(E)-2-phenylethenyl]phenoxy]piperidine
CID 134126069
4-(4-methylsulfanylphenoxy)thiane
CID 134106830
1-[4-(thian-4-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117446527
1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine
CID 117445004
(E)-3-(4-cyclopentyloxyphenyl)prop-2-enenitrile
CID 82161373
4-cyclopropyloxybenzaldehyde
CID 71423039
(E)-3-(4-cyclopropyloxyphenyl)prop-2-en-1-amine
CID 117281499
1-phenoxy-4-(2-phenylethenyl)benzene
CID 175482284
3-[4-[(E)-2-phenylethenyl]phenoxy]-1-azabicyclo[2.2.2]octane;hydrochloride
CID 18986077
(E)-3-(4-cyclobutyloxyphenyl)prop-2-en-1-amine
CID 117291812
2-[4-(thian-4-yloxy)phenyl]propan-1-ol
CID 117384499
4-cyclopentyloxybenzaldehyde
CID 3152724

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-2-phenylethenyl]phenoxy]thiane?
The IUPAC name of 4-[4-[(E)-2-phenylethenyl]phenoxy]thiane (CID 134126076) is 4-[4-[(E)-2-phenylethenyl]phenoxy]thiane.
What is the SMILES notation for 4-[4-[(E)-2-phenylethenyl]phenoxy]thiane?
The canonical SMILES for 4-[4-[(E)-2-phenylethenyl]phenoxy]thiane is C(=C/c1ccc(OC2CCSCC2)cc1)\c1ccccc1.
What is the InChIKey of 4-[4-[(E)-2-phenylethenyl]phenoxy]thiane?
The InChIKey is UJCUCEWRMHIMNJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H20OS/c1-2-4-16(5-3-1)6-7-17-8-10-18(11-9-17)20-19-12-14-21-15-13-19/h1-11,19H,12-15H2/b7-6+.
What are the key properties of 4-[4-[(E)-2-phenylethenyl]phenoxy]thiane?
4-[4-[(E)-2-phenylethenyl]phenoxy]thiane has a molecular weight of 296.44 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-2-phenylethenyl]phenoxy]thiane is sourced from PubChem (CID 134126076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).