1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene

C16H15ClO — CID 22755686

IUPAC1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene
SMILESClCCOc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C16H15ClO/c17-12-13-18-16-9-5-4-8-15(16)11-10-14-6-2-1-3-7-14/h1-11H,12-13H2/b11-10+
InChIKeyFERLXMXREZICFJ-ZHACJKMWSA-N
MW258.75 g/mol
LogP4.47
Rot. Bonds5

About 1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene

1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene (PubChem CID 22755686) has the molecular formula C16H15ClO and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene
PubChem CID22755686
Molecular FormulaC16H15ClO
Molecular Weight258.75 g/mol
Exact Mass258.08
IUPAC Name1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene
SMILESClCCOc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C16H15ClO/c17-12-13-18-16-9-5-4-8-15(16)11-10-14-6-2-1-3-7-14/h1-11H,12-13H2/b11-10+
InChIKeyFERLXMXREZICFJ-ZHACJKMWSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-phenylethenyl)phenoxy]ethanol
CID 70576558
3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol
CID 21078223
3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine
CID 20555192
triethyl-[2-[2-[(E)-2-phenylethenyl]phenoxy]ethyl]azanium iodide
CID 20838079
2-[2,3-bis[(E)-2-phenylethenyl]phenoxy]ethanol
CID 162493938
1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]azepane
CID 70526767
1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol
CID 54409840
1-(3-chloropropoxy)-4-[(E)-2-phenylethenyl]benzene
CID 23150283
2-[4-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperazin-1-yl]ethanol
CID 3055463
2-(2-chloroethoxy)ethenylbenzene
CID 54340888
1-(4-chlorobutoxy)-2-prop-1-enylbenzene
CID 76919134
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene (CID 22755686) is 1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene is ClCCOc1ccccc1/C=C/c1ccccc1.
What is the InChIKey of 1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene?
The InChIKey is FERLXMXREZICFJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H15ClO/c17-12-13-18-16-9-5-4-8-15(16)11-10-14-6-2-1-3-7-14/h1-11H,12-13H2/b11-10+.
What are the key properties of 1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene?
1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene has a molecular weight of 258.75 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 22755686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).