[(Z)-1-phenylhept-2-en-3-yl]sulfanylbenzene

C19H22S — CID 14952225

IUPAC[(Z)-1-phenylhept-2-en-3-yl]sulfanylbenzene
SMILESCCCC/C(=C/Cc1ccccc1)Sc1ccccc1
InChIInChI=1S/C19H22S/c1-2-3-12-19(20-18-13-8-5-9-14-18)16-15-17-10-6-4-7-11-17/h4-11,13-14,16H,2-3,12,15H2,1H3/b19-16-
InChIKeyJGCABVVJFJWNLU-MNDPQUGUSA-N
MW282.45 g/mol
LogP6.10
Rot. Bonds7

About [(Z)-1-phenylhept-2-en-3-yl]sulfanylbenzene

[(Z)-1-phenylhept-2-en-3-yl]sulfanylbenzene (PubChem CID 14952225) has the molecular formula C19H22S and a molecular weight of 282.45 g/mol. Its IUPAC name is [(Z)-1-phenylhept-2-en-3-yl]sulfanylbenzene.

Molecular Properties

Compound Name[(Z)-1-phenylhept-2-en-3-yl]sulfanylbenzene
PubChem CID14952225
Molecular FormulaC19H22S
Molecular Weight282.45 g/mol
Exact Mass282.14
IUPAC Name[(Z)-1-phenylhept-2-en-3-yl]sulfanylbenzene
SMILESCCCC/C(=C/Cc1ccccc1)Sc1ccccc1
InChIInChI=1S/C19H22S/c1-2-3-12-19(20-18-13-8-5-9-14-18)16-15-17-10-6-4-7-11-17/h4-11,13-14,16H,2-3,12,15H2,1H3/b19-16-
InChIKeyJGCABVVJFJWNLU-MNDPQUGUSA-N
XLogP6.10
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 ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-phenylhept-2-en-3-yl]sulfanylbenzene?
The IUPAC name of [(Z)-1-phenylhept-2-en-3-yl]sulfanylbenzene (CID 14952225) is [(Z)-1-phenylhept-2-en-3-yl]sulfanylbenzene.
What is the SMILES notation for [(Z)-1-phenylhept-2-en-3-yl]sulfanylbenzene?
The canonical SMILES for [(Z)-1-phenylhept-2-en-3-yl]sulfanylbenzene is CCCC/C(=C/Cc1ccccc1)Sc1ccccc1.
What is the InChIKey of [(Z)-1-phenylhept-2-en-3-yl]sulfanylbenzene?
The InChIKey is JGCABVVJFJWNLU-MNDPQUGUSA-N. The full InChI is InChI=1S/C19H22S/c1-2-3-12-19(20-18-13-8-5-9-14-18)16-15-17-10-6-4-7-11-17/h4-11,13-14,16H,2-3,12,15H2,1H3/b19-16-.
What are the key properties of [(Z)-1-phenylhept-2-en-3-yl]sulfanylbenzene?
[(Z)-1-phenylhept-2-en-3-yl]sulfanylbenzene has a molecular weight of 282.45 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-phenylhept-2-en-3-yl]sulfanylbenzene is sourced from PubChem (CID 14952225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).