1-[(E)-5-chloropent-2-en-2-yl]-2-(2-methoxyethoxy)benzene

C14H19ClO2 — CID 104663300

IUPAC1-[(E)-5-chloropent-2-en-2-yl]-2-(2-methoxyethoxy)benzene
SMILESCOCCOc1ccccc1/C(C)=C/CCCl
InChIInChI=1S/C14H19ClO2/c1-12(6-5-9-15)13-7-3-4-8-14(13)17-11-10-16-2/h3-4,6-8H,5,9-11H2,1-2H3/b12-6+
InChIKeyZZJMXXBGCAHTQZ-WUXMJOGZSA-N
MW254.76 g/mol
LogP3.74
Rot. Bonds7

About 1-[(E)-5-chloropent-2-en-2-yl]-2-(2-methoxyethoxy)benzene

1-[(E)-5-chloropent-2-en-2-yl]-2-(2-methoxyethoxy)benzene (PubChem CID 104663300) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-[(E)-5-chloropent-2-en-2-yl]-2-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name1-[(E)-5-chloropent-2-en-2-yl]-2-(2-methoxyethoxy)benzene
PubChem CID104663300
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name1-[(E)-5-chloropent-2-en-2-yl]-2-(2-methoxyethoxy)benzene
SMILESCOCCOc1ccccc1/C(C)=C/CCCl
InChIInChI=1S/C14H19ClO2/c1-12(6-5-9-15)13-7-3-4-8-14(13)17-11-10-16-2/h3-4,6-8H,5,9-11H2,1-2H3/b12-6+
InChIKeyZZJMXXBGCAHTQZ-WUXMJOGZSA-N
XLogP3.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloropent-2-en-2-yl)-2-ethoxybenzene
CID 79593117
(E)-N-(2-methoxyethyl)-4-(2-propoxyphenyl)pent-3-en-1-amine
CID 104663334
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
methyl 2-(6-chlorohexoxy)benzoate
CID 55053094
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one
CID 103453033
1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone
CID 116553800
2-[2-(2-methoxyethoxy)ethoxy]benzenecarbothioamide
CID 43291229
1-methoxy-2-pent-2-en-2-ylbenzene
CID 71423787
(3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107101821
1-methoxy-2-[(E)-undec-2-en-2-yl]benzene
CID 101435872

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-5-chloropent-2-en-2-yl]-2-(2-methoxyethoxy)benzene?
The IUPAC name of 1-[(E)-5-chloropent-2-en-2-yl]-2-(2-methoxyethoxy)benzene (CID 104663300) is 1-[(E)-5-chloropent-2-en-2-yl]-2-(2-methoxyethoxy)benzene.
What is the SMILES notation for 1-[(E)-5-chloropent-2-en-2-yl]-2-(2-methoxyethoxy)benzene?
The canonical SMILES for 1-[(E)-5-chloropent-2-en-2-yl]-2-(2-methoxyethoxy)benzene is COCCOc1ccccc1/C(C)=C/CCCl.
What is the InChIKey of 1-[(E)-5-chloropent-2-en-2-yl]-2-(2-methoxyethoxy)benzene?
The InChIKey is ZZJMXXBGCAHTQZ-WUXMJOGZSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-12(6-5-9-15)13-7-3-4-8-14(13)17-11-10-16-2/h3-4,6-8H,5,9-11H2,1-2H3/b12-6+.
What are the key properties of 1-[(E)-5-chloropent-2-en-2-yl]-2-(2-methoxyethoxy)benzene?
1-[(E)-5-chloropent-2-en-2-yl]-2-(2-methoxyethoxy)benzene has a molecular weight of 254.76 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-chloropent-2-en-2-yl]-2-(2-methoxyethoxy)benzene is sourced from PubChem (CID 104663300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).