1,3-dichloro-5-[(E)-4-ethoxybut-2-en-2-yl]benzene

C12H14Cl2O — CID 146269984

IUPAC1,3-dichloro-5-[(E)-4-ethoxybut-2-en-2-yl]benzene
SMILESCCOC/C=C(\C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14Cl2O/c1-3-15-5-4-9(2)10-6-11(13)8-12(14)7-10/h4,6-8H,3,5H2,1-2H3/b9-4+
InChIKeyLZLWRMQJXSLRCQ-RUDMXATFSA-N
MW245.15 g/mol
LogP4.43
Rot. Bonds4

About 1,3-dichloro-5-[(E)-4-ethoxybut-2-en-2-yl]benzene

1,3-dichloro-5-[(E)-4-ethoxybut-2-en-2-yl]benzene (PubChem CID 146269984) has the molecular formula C12H14Cl2O and a molecular weight of 245.15 g/mol. Its IUPAC name is 1,3-dichloro-5-[(E)-4-ethoxybut-2-en-2-yl]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[(E)-4-ethoxybut-2-en-2-yl]benzene
PubChem CID146269984
Molecular FormulaC12H14Cl2O
Molecular Weight245.15 g/mol
Exact Mass244.04
IUPAC Name1,3-dichloro-5-[(E)-4-ethoxybut-2-en-2-yl]benzene
SMILESCCOC/C=C(\C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14Cl2O/c1-3-15-5-4-9(2)10-6-11(13)8-12(14)7-10/h4,6-8H,3,5H2,1-2H3/b9-4+
InChIKeyLZLWRMQJXSLRCQ-RUDMXATFSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[(E)-4-ethoxybut-2-en-2-yl]benzene?
The IUPAC name of 1,3-dichloro-5-[(E)-4-ethoxybut-2-en-2-yl]benzene (CID 146269984) is 1,3-dichloro-5-[(E)-4-ethoxybut-2-en-2-yl]benzene.
What is the SMILES notation for 1,3-dichloro-5-[(E)-4-ethoxybut-2-en-2-yl]benzene?
The canonical SMILES for 1,3-dichloro-5-[(E)-4-ethoxybut-2-en-2-yl]benzene is CCOC/C=C(\C)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-[(E)-4-ethoxybut-2-en-2-yl]benzene?
The InChIKey is LZLWRMQJXSLRCQ-RUDMXATFSA-N. The full InChI is InChI=1S/C12H14Cl2O/c1-3-15-5-4-9(2)10-6-11(13)8-12(14)7-10/h4,6-8H,3,5H2,1-2H3/b9-4+.
What are the key properties of 1,3-dichloro-5-[(E)-4-ethoxybut-2-en-2-yl]benzene?
1,3-dichloro-5-[(E)-4-ethoxybut-2-en-2-yl]benzene has a molecular weight of 245.15 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[(E)-4-ethoxybut-2-en-2-yl]benzene is sourced from PubChem (CID 146269984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).