1-chloro-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

C15H13ClO — CID 6110518

IUPAC1-chloro-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H13ClO/c1-17-15-9-7-12(8-10-15)5-6-13-3-2-4-14(16)11-13/h2-11H,1H3/b6-5+
InChIKeyQVDBAMQPPFRVEI-AATRIKPKSA-N
MW244.72 g/mol
LogP4.52
Rot. Bonds3

About 1-chloro-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

1-chloro-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene (PubChem CID 6110518) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is 1-chloro-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
PubChem CID6110518
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name1-chloro-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H13ClO/c1-17-15-9-7-12(8-10-15)5-6-13-3-2-4-14(16)11-13/h2-11H,1H3/b6-5+
InChIKeyQVDBAMQPPFRVEI-AATRIKPKSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 1-chloro-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene (CID 6110518) is 1-chloro-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1-chloro-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1-chloro-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene is COc1ccc(/C=C/c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-chloro-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The InChIKey is QVDBAMQPPFRVEI-AATRIKPKSA-N. The full InChI is InChI=1S/C15H13ClO/c1-17-15-9-7-12(8-10-15)5-6-13-3-2-4-14(16)11-13/h2-11H,1H3/b6-5+.
What are the key properties of 1-chloro-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
1-chloro-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene has a molecular weight of 244.72 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 6110518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).