cyclohexyl [3-[(E)-2-quinolin-2-ylethenyl]phenyl] carbonate

C24H23NO3 — CID 110188957

IUPACcyclohexyl [3-[(E)-2-quinolin-2-ylethenyl]phenyl] carbonate
SMILESO=C(Oc1cccc(/C=C/c2ccc3ccccc3n2)c1)OC1CCCCC1
InChIInChI=1S/C24H23NO3/c26-24(27-21-9-2-1-3-10-21)28-22-11-6-7-18(17-22)13-15-20-16-14-19-8-4-5-12-23(19)25-20/h4-8,11-17,21H,1-3,9-10H2/b15-13+
InChIKeyXXBFOBYTZJTTHH-FYWRMAATSA-N
MW373.45 g/mol
LogP6.25
Rot. Bonds4

About cyclohexyl [3-[(E)-2-quinolin-2-ylethenyl]phenyl] carbonate

cyclohexyl [3-[(E)-2-quinolin-2-ylethenyl]phenyl] carbonate (PubChem CID 110188957) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is cyclohexyl [3-[(E)-2-quinolin-2-ylethenyl]phenyl] carbonate.

Molecular Properties

Compound Namecyclohexyl [3-[(E)-2-quinolin-2-ylethenyl]phenyl] carbonate
PubChem CID110188957
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Namecyclohexyl [3-[(E)-2-quinolin-2-ylethenyl]phenyl] carbonate
SMILESO=C(Oc1cccc(/C=C/c2ccc3ccccc3n2)c1)OC1CCCCC1
InChIInChI=1S/C24H23NO3/c26-24(27-21-9-2-1-3-10-21)28-22-11-6-7-18(17-22)13-15-20-16-14-19-8-4-5-12-23(19)25-20/h4-8,11-17,21H,1-3,9-10H2/b15-13+
InChIKeyXXBFOBYTZJTTHH-FYWRMAATSA-N
XLogP6.25
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl [3-[(E)-2-quinolin-2-ylethenyl]phenyl] carbonate?
The IUPAC name of cyclohexyl [3-[(E)-2-quinolin-2-ylethenyl]phenyl] carbonate (CID 110188957) is cyclohexyl [3-[(E)-2-quinolin-2-ylethenyl]phenyl] carbonate.
What is the SMILES notation for cyclohexyl [3-[(E)-2-quinolin-2-ylethenyl]phenyl] carbonate?
The canonical SMILES for cyclohexyl [3-[(E)-2-quinolin-2-ylethenyl]phenyl] carbonate is O=C(Oc1cccc(/C=C/c2ccc3ccccc3n2)c1)OC1CCCCC1.
What is the InChIKey of cyclohexyl [3-[(E)-2-quinolin-2-ylethenyl]phenyl] carbonate?
The InChIKey is XXBFOBYTZJTTHH-FYWRMAATSA-N. The full InChI is InChI=1S/C24H23NO3/c26-24(27-21-9-2-1-3-10-21)28-22-11-6-7-18(17-22)13-15-20-16-14-19-8-4-5-12-23(19)25-20/h4-8,11-17,21H,1-3,9-10H2/b15-13+.
What are the key properties of cyclohexyl [3-[(E)-2-quinolin-2-ylethenyl]phenyl] carbonate?
cyclohexyl [3-[(E)-2-quinolin-2-ylethenyl]phenyl] carbonate has a molecular weight of 373.45 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl [3-[(E)-2-quinolin-2-ylethenyl]phenyl] carbonate is sourced from PubChem (CID 110188957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).