[(1Z,3E)-5-methoxy-1-phenylpenta-1,3-dien-2-yl]sulfanylbenzene

C18H18OS — CID 101392254

IUPAC[(1Z,3E)-5-methoxy-1-phenylpenta-1,3-dien-2-yl]sulfanylbenzene
SMILESCOC/C=C/C(=C/c1ccccc1)Sc1ccccc1
InChIInChI=1S/C18H18OS/c1-19-14-8-13-18(15-16-9-4-2-5-10-16)20-17-11-6-3-7-12-17/h2-13,15H,14H2,1H3/b13-8+,18-15-
InChIKeyUTJXRWODRZTCEX-XKOIKILESA-N
MW282.41 g/mol
LogP5.02
Rot. Bonds6

About [(1Z,3E)-5-methoxy-1-phenylpenta-1,3-dien-2-yl]sulfanylbenzene

[(1Z,3E)-5-methoxy-1-phenylpenta-1,3-dien-2-yl]sulfanylbenzene (PubChem CID 101392254) has the molecular formula C18H18OS and a molecular weight of 282.41 g/mol. Its IUPAC name is [(1Z,3E)-5-methoxy-1-phenylpenta-1,3-dien-2-yl]sulfanylbenzene.

Molecular Properties

Compound Name[(1Z,3E)-5-methoxy-1-phenylpenta-1,3-dien-2-yl]sulfanylbenzene
PubChem CID101392254
Molecular FormulaC18H18OS
Molecular Weight282.41 g/mol
Exact Mass282.11
IUPAC Name[(1Z,3E)-5-methoxy-1-phenylpenta-1,3-dien-2-yl]sulfanylbenzene
SMILESCOC/C=C/C(=C/c1ccccc1)Sc1ccccc1
InChIInChI=1S/C18H18OS/c1-19-14-8-13-18(15-16-9-4-2-5-10-16)20-17-11-6-3-7-12-17/h2-13,15H,14H2,1H3/b13-8+,18-15-
InChIKeyUTJXRWODRZTCEX-XKOIKILESA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.41
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-2-[(E)-2-phenylethenyl]-1,3-oxathiane
CID 10889861
[(E)-2-phenylsulfanyl-but-1-enyl]-benzene
CID 5808548
1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]sulfanylbenzene
CID 5892855
[(Z)-2-phenylsulfanyl-hex-1-enyl]-benzene
CID 5905585
[(E)-1-phenylpent-1-enyl]sulfanylbenzene
CID 5935922
[(E)-1-phenylhex-1-en-2-yl]sulfanylbenzene
CID 6373957
methyl (Z)-3-phenyl-2-phenylsulfanylprop-2-enoate
CID 12256077
[(3E,5E)-2-methyl-6-phenylhexa-3,5-dien-3-yl]sulfanylbenzene
CID 12299371
methyl (Z)-3-phenyl-3-phenylsulfanylprop-2-enoate
CID 13109455
[(E)-1-methoxy-2-phenylprop-1-enyl]sulfanylbenzene
CID 13183922
[(Z)-1-phenylhept-2-en-3-yl]sulfanylbenzene
CID 14952225
[(Z)-1-(benzenesulfonyl)-2-ethoxyethenyl]benzene
CID 15309666

Frequently Asked Questions

What is the IUPAC name of [(1Z,3E)-5-methoxy-1-phenylpenta-1,3-dien-2-yl]sulfanylbenzene?
The IUPAC name of [(1Z,3E)-5-methoxy-1-phenylpenta-1,3-dien-2-yl]sulfanylbenzene (CID 101392254) is [(1Z,3E)-5-methoxy-1-phenylpenta-1,3-dien-2-yl]sulfanylbenzene.
What is the SMILES notation for [(1Z,3E)-5-methoxy-1-phenylpenta-1,3-dien-2-yl]sulfanylbenzene?
The canonical SMILES for [(1Z,3E)-5-methoxy-1-phenylpenta-1,3-dien-2-yl]sulfanylbenzene is COC/C=C/C(=C/c1ccccc1)Sc1ccccc1.
What is the InChIKey of [(1Z,3E)-5-methoxy-1-phenylpenta-1,3-dien-2-yl]sulfanylbenzene?
The InChIKey is UTJXRWODRZTCEX-XKOIKILESA-N. The full InChI is InChI=1S/C18H18OS/c1-19-14-8-13-18(15-16-9-4-2-5-10-16)20-17-11-6-3-7-12-17/h2-13,15H,14H2,1H3/b13-8+,18-15-.
What are the key properties of [(1Z,3E)-5-methoxy-1-phenylpenta-1,3-dien-2-yl]sulfanylbenzene?
[(1Z,3E)-5-methoxy-1-phenylpenta-1,3-dien-2-yl]sulfanylbenzene has a molecular weight of 282.41 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3E)-5-methoxy-1-phenylpenta-1,3-dien-2-yl]sulfanylbenzene is sourced from PubChem (CID 101392254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).