2-but-2-ynoxy-1,3-dichlorobenzene

C10H8Cl2O — CID 130635174

IUPAC2-but-2-ynoxy-1,3-dichlorobenzene
SMILESCC#CCOc1c(Cl)cccc1Cl
InChIInChI=1S/C10H8Cl2O/c1-2-3-7-13-10-8(11)5-4-6-9(10)12/h4-6H,7H2,1H3
InChIKeyOTSSWKJJFJZTGR-UHFFFAOYSA-N
MW215.08 g/mol
LogP3.40
Rot. Bonds2

About 2-but-2-ynoxy-1,3-dichlorobenzene

2-but-2-ynoxy-1,3-dichlorobenzene (PubChem CID 130635174) has the molecular formula C10H8Cl2O and a molecular weight of 215.08 g/mol. Its IUPAC name is 2-but-2-ynoxy-1,3-dichlorobenzene.

Molecular Properties

Compound Name2-but-2-ynoxy-1,3-dichlorobenzene
PubChem CID130635174
Molecular FormulaC10H8Cl2O
Molecular Weight215.08 g/mol
Exact Mass214.00
IUPAC Name2-but-2-ynoxy-1,3-dichlorobenzene
SMILESCC#CCOc1c(Cl)cccc1Cl
InChIInChI=1S/C10H8Cl2O/c1-2-3-7-13-10-8(11)5-4-6-9(10)12/h4-6H,7H2,1H3
InChIKeyOTSSWKJJFJZTGR-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-but-2-ynoxy-3-chlorophenyl)methyl]propan-1-amine
CID 112609473
N-[(2-but-2-ynoxy-3-chlorophenyl)methyl]-2-methoxyethanamine
CID 112610592
2-(2,6-dichlorophenoxy)acetonitrile
CID 2799245
1-but-2-ynoxy-4-chlorobenzene
CID 64765646
1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine
CID 154158720
N-[(3-chloro-2-pent-3-ynoxyphenyl)methyl]-2-methylpropan-2-amine
CID 104805501
1-but-2-ynoxy-2-fluoro-3-methylbenzene
CID 103988295
1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
1,3-dichloro-2-(2,2-dimethoxyethoxy)benzene
CID 66224051
1,3-dichloro-2-(6-chlorohexoxy)benzene
CID 63499301
1-but-2-ynyl-2-chlorobenzene
CID 69199854
N-[(2-but-2-ynoxy-3,5-dichlorophenyl)methyl]propan-2-amine
CID 55057886

Frequently Asked Questions

What is the IUPAC name of 2-but-2-ynoxy-1,3-dichlorobenzene?
The IUPAC name of 2-but-2-ynoxy-1,3-dichlorobenzene (CID 130635174) is 2-but-2-ynoxy-1,3-dichlorobenzene.
What is the SMILES notation for 2-but-2-ynoxy-1,3-dichlorobenzene?
The canonical SMILES for 2-but-2-ynoxy-1,3-dichlorobenzene is CC#CCOc1c(Cl)cccc1Cl.
What is the InChIKey of 2-but-2-ynoxy-1,3-dichlorobenzene?
The InChIKey is OTSSWKJJFJZTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O/c1-2-3-7-13-10-8(11)5-4-6-9(10)12/h4-6H,7H2,1H3.
What are the key properties of 2-but-2-ynoxy-1,3-dichlorobenzene?
2-but-2-ynoxy-1,3-dichlorobenzene has a molecular weight of 215.08 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-ynoxy-1,3-dichlorobenzene is sourced from PubChem (CID 130635174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).