2-butoxy-1,3,4,5-tetrachlorobenzene

C10H10Cl4O — CID 91736828

IUPAC2-butoxy-1,3,4,5-tetrachlorobenzene
SMILESCCCCOc1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H10Cl4O/c1-2-3-4-15-10-7(12)5-6(11)8(13)9(10)14/h5H,2-4H2,1H3
InChIKeyDPCNRLFWVPYYER-UHFFFAOYSA-N
MW288.00 g/mol
LogP5.48
Rot. Bonds4

About 2-butoxy-1,3,4,5-tetrachlorobenzene

2-butoxy-1,3,4,5-tetrachlorobenzene (PubChem CID 91736828) has the molecular formula C10H10Cl4O and a molecular weight of 288.00 g/mol. Its IUPAC name is 2-butoxy-1,3,4,5-tetrachlorobenzene.

Molecular Properties

Compound Name2-butoxy-1,3,4,5-tetrachlorobenzene
PubChem CID91736828
Molecular FormulaC10H10Cl4O
Molecular Weight288.00 g/mol
Exact Mass285.95
IUPAC Name2-butoxy-1,3,4,5-tetrachlorobenzene
SMILESCCCCOc1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H10Cl4O/c1-2-3-4-15-10-7(12)5-6(11)8(13)9(10)14/h5H,2-4H2,1H3
InChIKeyDPCNRLFWVPYYER-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.00
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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1,3,5-trichloro-2-tetradecoxybenzene
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4-butoxy-3,5-dichlorobenzoyl chloride
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1-O-pentyl 4-O-(2,3,4,6-tetrachlorophenyl) butanedioate
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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1,3,4,5-tetrachlorobenzene?
The IUPAC name of 2-butoxy-1,3,4,5-tetrachlorobenzene (CID 91736828) is 2-butoxy-1,3,4,5-tetrachlorobenzene.
What is the SMILES notation for 2-butoxy-1,3,4,5-tetrachlorobenzene?
The canonical SMILES for 2-butoxy-1,3,4,5-tetrachlorobenzene is CCCCOc1c(Cl)cc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-butoxy-1,3,4,5-tetrachlorobenzene?
The InChIKey is DPCNRLFWVPYYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl4O/c1-2-3-4-15-10-7(12)5-6(11)8(13)9(10)14/h5H,2-4H2,1H3.
What are the key properties of 2-butoxy-1,3,4,5-tetrachlorobenzene?
2-butoxy-1,3,4,5-tetrachlorobenzene has a molecular weight of 288.00 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1,3,4,5-tetrachlorobenzene is sourced from PubChem (CID 91736828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).