1-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-4-octylbenzene

C24H31ClO — CID 6046884

IUPAC1-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-4-octylbenzene
SMILESCCCCCCCCc1ccc(/C(Cl)=C/c2ccc(OCC)cc2)cc1
InChIInChI=1S/C24H31ClO/c1-3-5-6-7-8-9-10-20-11-15-22(16-12-20)24(25)19-21-13-17-23(18-14-21)26-4-2/h11-19H,3-10H2,1-2H3/b24-19-
InChIKeyGSDUCZGRMDRJKE-CLCOLTQESA-N
MW370.96 g/mol
LogP7.73
Rot. Bonds11

About 1-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-4-octylbenzene

1-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-4-octylbenzene (PubChem CID 6046884) has the molecular formula C24H31ClO and a molecular weight of 370.96 g/mol. Its IUPAC name is 1-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-4-octylbenzene.

Molecular Properties

Compound Name1-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-4-octylbenzene
PubChem CID6046884
Molecular FormulaC24H31ClO
Molecular Weight370.96 g/mol
Exact Mass370.21
IUPAC Name1-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-4-octylbenzene
SMILESCCCCCCCCc1ccc(/C(Cl)=C/c2ccc(OCC)cc2)cc1
InChIInChI=1S/C24H31ClO/c1-3-5-6-7-8-9-10-20-11-15-22(16-12-20)24(25)19-21-13-17-23(18-14-21)26-4-2/h11-19H,3-10H2,1-2H3/b24-19-
InChIKeyGSDUCZGRMDRJKE-CLCOLTQESA-N
XLogP7.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.96
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-4-octylbenzene?
The IUPAC name of 1-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-4-octylbenzene (CID 6046884) is 1-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-4-octylbenzene.
What is the SMILES notation for 1-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-4-octylbenzene?
The canonical SMILES for 1-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-4-octylbenzene is CCCCCCCCc1ccc(/C(Cl)=C/c2ccc(OCC)cc2)cc1.
What is the InChIKey of 1-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-4-octylbenzene?
The InChIKey is GSDUCZGRMDRJKE-CLCOLTQESA-N. The full InChI is InChI=1S/C24H31ClO/c1-3-5-6-7-8-9-10-20-11-15-22(16-12-20)24(25)19-21-13-17-23(18-14-21)26-4-2/h11-19H,3-10H2,1-2H3/b24-19-.
What are the key properties of 1-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-4-octylbenzene?
1-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-4-octylbenzene has a molecular weight of 370.96 g/mol, XLogP of 7.73, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-4-octylbenzene is sourced from PubChem (CID 6046884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).