[(E,3S)-3-methoxy-7-phenylhept-6-enyl]benzene

C20H24O — CID 44560894

IUPAC[(E,3S)-3-methoxy-7-phenylhept-6-enyl]benzene
SMILESCO[C@@H](CC/C=C/c1ccccc1)CCc1ccccc1
InChIInChI=1S/C20H24O/c1-21-20(17-16-19-12-6-3-7-13-19)15-9-8-14-18-10-4-2-5-11-18/h2-8,10-14,20H,9,15-17H2,1H3/b14-8+/t20-/m0/s1
InChIKeyTXLSSUPKNBSTJT-MXECYCPESA-N
MW280.41 g/mol
LogP5.13
Rot. Bonds8

About [(E,3S)-3-methoxy-7-phenylhept-6-enyl]benzene

[(E,3S)-3-methoxy-7-phenylhept-6-enyl]benzene (PubChem CID 44560894) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is [(E,3S)-3-methoxy-7-phenylhept-6-enyl]benzene.

Molecular Properties

Compound Name[(E,3S)-3-methoxy-7-phenylhept-6-enyl]benzene
PubChem CID44560894
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name[(E,3S)-3-methoxy-7-phenylhept-6-enyl]benzene
SMILESCO[C@@H](CC/C=C/c1ccccc1)CCc1ccccc1
InChIInChI=1S/C20H24O/c1-21-20(17-16-19-12-6-3-7-13-19)15-9-8-14-18-10-4-2-5-11-18/h2-8,10-14,20H,9,15-17H2,1H3/b14-8+/t20-/m0/s1
InChIKeyTXLSSUPKNBSTJT-MXECYCPESA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E,3S)-3-methoxy-7-phenylhept-6-enyl]benzene?
The IUPAC name of [(E,3S)-3-methoxy-7-phenylhept-6-enyl]benzene (CID 44560894) is [(E,3S)-3-methoxy-7-phenylhept-6-enyl]benzene.
What is the SMILES notation for [(E,3S)-3-methoxy-7-phenylhept-6-enyl]benzene?
The canonical SMILES for [(E,3S)-3-methoxy-7-phenylhept-6-enyl]benzene is CO[C@@H](CC/C=C/c1ccccc1)CCc1ccccc1.
What is the InChIKey of [(E,3S)-3-methoxy-7-phenylhept-6-enyl]benzene?
The InChIKey is TXLSSUPKNBSTJT-MXECYCPESA-N. The full InChI is InChI=1S/C20H24O/c1-21-20(17-16-19-12-6-3-7-13-19)15-9-8-14-18-10-4-2-5-11-18/h2-8,10-14,20H,9,15-17H2,1H3/b14-8+/t20-/m0/s1.
What are the key properties of [(E,3S)-3-methoxy-7-phenylhept-6-enyl]benzene?
[(E,3S)-3-methoxy-7-phenylhept-6-enyl]benzene has a molecular weight of 280.41 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3S)-3-methoxy-7-phenylhept-6-enyl]benzene is sourced from PubChem (CID 44560894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).