[(Z)-1-phenylhept-1-enyl]sulfanylbenzene

C19H22S — CID 10924031

IUPAC[(Z)-1-phenylhept-1-enyl]sulfanylbenzene
SMILESCCCCC/C=C(\Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22S/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)20-18-14-9-6-10-15-18/h5-10,12-16H,2-4,11H2,1H3/b19-16-
InChIKeyIFVITLOIQADAAG-MNDPQUGUSA-N
MW282.45 g/mol
LogP6.40
Rot. Bonds7

About [(Z)-1-phenylhept-1-enyl]sulfanylbenzene

[(Z)-1-phenylhept-1-enyl]sulfanylbenzene (PubChem CID 10924031) has the molecular formula C19H22S and a molecular weight of 282.45 g/mol. Its IUPAC name is [(Z)-1-phenylhept-1-enyl]sulfanylbenzene.

Molecular Properties

Compound Name[(Z)-1-phenylhept-1-enyl]sulfanylbenzene
PubChem CID10924031
Molecular FormulaC19H22S
Molecular Weight282.45 g/mol
Exact Mass282.14
IUPAC Name[(Z)-1-phenylhept-1-enyl]sulfanylbenzene
SMILESCCCCC/C=C(\Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22S/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)20-18-14-9-6-10-15-18/h5-10,12-16H,2-4,11H2,1H3/b19-16-
InChIKeyIFVITLOIQADAAG-MNDPQUGUSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.45
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-phenylhept-1-enyl]sulfanylbenzene?
The IUPAC name of [(Z)-1-phenylhept-1-enyl]sulfanylbenzene (CID 10924031) is [(Z)-1-phenylhept-1-enyl]sulfanylbenzene.
What is the SMILES notation for [(Z)-1-phenylhept-1-enyl]sulfanylbenzene?
The canonical SMILES for [(Z)-1-phenylhept-1-enyl]sulfanylbenzene is CCCCC/C=C(\Sc1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1-phenylhept-1-enyl]sulfanylbenzene?
The InChIKey is IFVITLOIQADAAG-MNDPQUGUSA-N. The full InChI is InChI=1S/C19H22S/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)20-18-14-9-6-10-15-18/h5-10,12-16H,2-4,11H2,1H3/b19-16-.
What are the key properties of [(Z)-1-phenylhept-1-enyl]sulfanylbenzene?
[(Z)-1-phenylhept-1-enyl]sulfanylbenzene has a molecular weight of 282.45 g/mol, XLogP of 6.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-phenylhept-1-enyl]sulfanylbenzene is sourced from PubChem (CID 10924031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).