2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenol

C9H6Cl4O2 — CID 11346738

IUPAC2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenol
SMILESOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl
InChIInChI=1S/C9H6Cl4O2/c10-6-3-5(4-7(11)9(6)14)15-2-1-8(12)13/h1,3-4,14H,2H2
InChIKeyURMCRIARAXDJTP-UHFFFAOYSA-N
MW287.96 g/mol
LogP4.40
Rot. Bonds3

About 2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenol

2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenol (PubChem CID 11346738) has the molecular formula C9H6Cl4O2 and a molecular weight of 287.96 g/mol. Its IUPAC name is 2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenol.

Molecular Properties

Compound Name2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenol
PubChem CID11346738
Molecular FormulaC9H6Cl4O2
Molecular Weight287.96 g/mol
Exact Mass285.91
IUPAC Name2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenol
SMILESOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl
InChIInChI=1S/C9H6Cl4O2/c10-6-3-5(4-7(11)9(6)14)15-2-1-8(12)13/h1,3-4,14H,2H2
InChIKeyURMCRIARAXDJTP-UHFFFAOYSA-N
XLogP4.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.96
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene
CID 18725396
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene
CID 54079745
5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]pentan-1-amine
CID 22006786
1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54133005
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-(3-phenoxypropoxy)benzene
CID 54077529
1,3-dichloro-2-[3-(4-chlorophenoxy)propoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54295507
N-[5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]pentoxy]propan-2-imine
CID 18429919
2-[5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]pentoxy]acetaldehyde
CID 54045208
4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]benzaldehyde
CID 18429639
2,3,5-trichloro-6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]pyridine
CID 141278423
O-[4-[2-chloro-4-(3,3-dichloroprop-2-enoxy)-6-methylphenoxy]butyl]hydroxylamine
CID 18429754
N-[4-[2-chloro-4-(3,3-dichloroprop-2-enoxy)-6-methylphenoxy]butoxy]propan-2-imine
CID 22963651

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenol?
The IUPAC name of 2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenol (CID 11346738) is 2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenol.
What is the SMILES notation for 2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenol?
The canonical SMILES for 2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenol is Oc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenol?
The InChIKey is URMCRIARAXDJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl4O2/c10-6-3-5(4-7(11)9(6)14)15-2-1-8(12)13/h1,3-4,14H,2H2.
What are the key properties of 2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenol?
2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenol has a molecular weight of 287.96 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenol is sourced from PubChem (CID 11346738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).