4-(3-chlorophenyl)-2-[(E)-4-ethylhept-3-en-3-yl]-1-methylbenzene

C22H27Cl — CID 155108448

IUPAC4-(3-chlorophenyl)-2-[(E)-4-ethylhept-3-en-3-yl]-1-methylbenzene
SMILESCCC/C(CC)=C(\CC)c1cc(-c2cccc(Cl)c2)ccc1C
InChIInChI=1S/C22H27Cl/c1-5-9-17(6-2)21(7-3)22-15-19(13-12-16(22)4)18-10-8-11-20(23)14-18/h8,10-15H,5-7,9H2,1-4H3/b21-17+
InChIKeyUHLZEBDWDJEWAR-HEHNFIMWSA-N
MW326.91 g/mol
LogP7.69
Rot. Bonds6

About 4-(3-chlorophenyl)-2-[(E)-4-ethylhept-3-en-3-yl]-1-methylbenzene

4-(3-chlorophenyl)-2-[(E)-4-ethylhept-3-en-3-yl]-1-methylbenzene (PubChem CID 155108448) has the molecular formula C22H27Cl and a molecular weight of 326.91 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-[(E)-4-ethylhept-3-en-3-yl]-1-methylbenzene.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-[(E)-4-ethylhept-3-en-3-yl]-1-methylbenzene
PubChem CID155108448
Molecular FormulaC22H27Cl
Molecular Weight326.91 g/mol
Exact Mass326.18
IUPAC Name4-(3-chlorophenyl)-2-[(E)-4-ethylhept-3-en-3-yl]-1-methylbenzene
SMILESCCC/C(CC)=C(\CC)c1cc(-c2cccc(Cl)c2)ccc1C
InChIInChI=1S/C22H27Cl/c1-5-9-17(6-2)21(7-3)22-15-19(13-12-16(22)4)18-10-8-11-20(23)14-18/h8,10-15H,5-7,9H2,1-4H3/b21-17+
InChIKeyUHLZEBDWDJEWAR-HEHNFIMWSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.91
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-[(E)-4-ethylhept-3-en-3-yl]-1-methylbenzene?
The IUPAC name of 4-(3-chlorophenyl)-2-[(E)-4-ethylhept-3-en-3-yl]-1-methylbenzene (CID 155108448) is 4-(3-chlorophenyl)-2-[(E)-4-ethylhept-3-en-3-yl]-1-methylbenzene.
What is the SMILES notation for 4-(3-chlorophenyl)-2-[(E)-4-ethylhept-3-en-3-yl]-1-methylbenzene?
The canonical SMILES for 4-(3-chlorophenyl)-2-[(E)-4-ethylhept-3-en-3-yl]-1-methylbenzene is CCC/C(CC)=C(\CC)c1cc(-c2cccc(Cl)c2)ccc1C.
What is the InChIKey of 4-(3-chlorophenyl)-2-[(E)-4-ethylhept-3-en-3-yl]-1-methylbenzene?
The InChIKey is UHLZEBDWDJEWAR-HEHNFIMWSA-N. The full InChI is InChI=1S/C22H27Cl/c1-5-9-17(6-2)21(7-3)22-15-19(13-12-16(22)4)18-10-8-11-20(23)14-18/h8,10-15H,5-7,9H2,1-4H3/b21-17+.
What are the key properties of 4-(3-chlorophenyl)-2-[(E)-4-ethylhept-3-en-3-yl]-1-methylbenzene?
4-(3-chlorophenyl)-2-[(E)-4-ethylhept-3-en-3-yl]-1-methylbenzene has a molecular weight of 326.91 g/mol, XLogP of 7.69, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-[(E)-4-ethylhept-3-en-3-yl]-1-methylbenzene is sourced from PubChem (CID 155108448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).