2-[1-(2-chlorophenyl)cyclohexyl]-5-methoxycyclohepta-1,3,5-triene

C20H23ClO — CID 143461673

IUPAC2-[1-(2-chlorophenyl)cyclohexyl]-5-methoxycyclohepta-1,3,5-triene
SMILESCOC1=CCC=C(C2(c3ccccc3Cl)CCCCC2)C=C1
InChIInChI=1S/C20H23ClO/c1-22-17-9-7-8-16(12-13-17)20(14-5-2-6-15-20)18-10-3-4-11-19(18)21/h3-4,8-13H,2,5-7,14-15H2,1H3
InChIKeyGEFKTTRQZRZJJG-UHFFFAOYSA-N
MW314.86 g/mol
LogP5.96
Rot. Bonds3

About 2-[1-(2-chlorophenyl)cyclohexyl]-5-methoxycyclohepta-1,3,5-triene

2-[1-(2-chlorophenyl)cyclohexyl]-5-methoxycyclohepta-1,3,5-triene (PubChem CID 143461673) has the molecular formula C20H23ClO and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)cyclohexyl]-5-methoxycyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)cyclohexyl]-5-methoxycyclohepta-1,3,5-triene
PubChem CID143461673
Molecular FormulaC20H23ClO
Molecular Weight314.86 g/mol
Exact Mass314.14
IUPAC Name2-[1-(2-chlorophenyl)cyclohexyl]-5-methoxycyclohepta-1,3,5-triene
SMILESCOC1=CCC=C(C2(c3ccccc3Cl)CCCCC2)C=C1
InChIInChI=1S/C20H23ClO/c1-22-17-9-7-8-16(12-13-17)20(14-5-2-6-15-20)18-10-3-4-11-19(18)21/h3-4,8-13H,2,5-7,14-15H2,1H3
InChIKeyGEFKTTRQZRZJJG-UHFFFAOYSA-N
XLogP5.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.86
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)cyclohexyl]-5-methoxycyclohepta-1,3,5-triene?
The IUPAC name of 2-[1-(2-chlorophenyl)cyclohexyl]-5-methoxycyclohepta-1,3,5-triene (CID 143461673) is 2-[1-(2-chlorophenyl)cyclohexyl]-5-methoxycyclohepta-1,3,5-triene.
What is the SMILES notation for 2-[1-(2-chlorophenyl)cyclohexyl]-5-methoxycyclohepta-1,3,5-triene?
The canonical SMILES for 2-[1-(2-chlorophenyl)cyclohexyl]-5-methoxycyclohepta-1,3,5-triene is COC1=CCC=C(C2(c3ccccc3Cl)CCCCC2)C=C1.
What is the InChIKey of 2-[1-(2-chlorophenyl)cyclohexyl]-5-methoxycyclohepta-1,3,5-triene?
The InChIKey is GEFKTTRQZRZJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClO/c1-22-17-9-7-8-16(12-13-17)20(14-5-2-6-15-20)18-10-3-4-11-19(18)21/h3-4,8-13H,2,5-7,14-15H2,1H3.
What are the key properties of 2-[1-(2-chlorophenyl)cyclohexyl]-5-methoxycyclohepta-1,3,5-triene?
2-[1-(2-chlorophenyl)cyclohexyl]-5-methoxycyclohepta-1,3,5-triene has a molecular weight of 314.86 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)cyclohexyl]-5-methoxycyclohepta-1,3,5-triene is sourced from PubChem (CID 143461673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).