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

C15H13ClO — CID 139240530

IUPAC1-chloro-3-[(E)-2-(2-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccccc1/C=C/c1cccc(Cl)c1
InChIInChI=1S/C15H13ClO/c1-17-15-8-3-2-6-13(15)10-9-12-5-4-7-14(16)11-12/h2-11H,1H3/b10-9+
InChIKeyFACFILDTYZNSEQ-MDZDMXLPSA-N
MW244.72 g/mol
LogP4.52
Rot. Bonds3

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

1-chloro-3-[(E)-2-(2-methoxyphenyl)ethenyl]benzene (PubChem CID 139240530) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is 1-chloro-3-[(E)-2-(2-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[(E)-2-(2-methoxyphenyl)ethenyl]benzene
PubChem CID139240530
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name1-chloro-3-[(E)-2-(2-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccccc1/C=C/c1cccc(Cl)c1
InChIInChI=1S/C15H13ClO/c1-17-15-8-3-2-6-13(15)10-9-12-5-4-7-14(16)11-12/h2-11H,1H3/b10-9+
InChIKeyFACFILDTYZNSEQ-MDZDMXLPSA-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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Related Compounds

3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine
CID 53315540
2-[(E)-2-(3-chlorophenyl)ethenyl]-8-methoxyquinoline
CID 7210372
2-[4-[4-[2-[2-(3-chlorophenyl)ethenyl]phenoxy]butyl]piperazin-1-yl]ethanol
CID 54312793
1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene
CID 138660638
1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene
CID 66772159
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858
4-[(E)-2-(2-methoxyphenyl)ethenyl]-2,6-diphenylpyrylium tetrafluoroborate
CID 52987343
3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 4796977
1-(2-fluoroethenyl)-2-methoxybenzene
CID 134862998
N-[(3-chlorophenyl)carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 927027
1-(3,3-dichloroprop-1-enyl)-2-methoxybenzene
CID 118255170
(Z)-N-[(E)-3-(3-chlorophenyl)prop-2-enoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine
CID 88512667

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(E)-2-(2-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 1-chloro-3-[(E)-2-(2-methoxyphenyl)ethenyl]benzene (CID 139240530) is 1-chloro-3-[(E)-2-(2-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1-chloro-3-[(E)-2-(2-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1-chloro-3-[(E)-2-(2-methoxyphenyl)ethenyl]benzene is COc1ccccc1/C=C/c1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-[(E)-2-(2-methoxyphenyl)ethenyl]benzene?
The InChIKey is FACFILDTYZNSEQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H13ClO/c1-17-15-8-3-2-6-13(15)10-9-12-5-4-7-14(16)11-12/h2-11H,1H3/b10-9+.
What are the key properties of 1-chloro-3-[(E)-2-(2-methoxyphenyl)ethenyl]benzene?
1-chloro-3-[(E)-2-(2-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-(2-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 139240530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).