3,5-dichloro-4-ethoxyphenol;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene

C14H12Cl2O3 — CID 67576565

IUPAC3,5-dichloro-4-ethoxyphenol;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene
SMILESCCOc1c(Cl)cc(O)cc1Cl.c1cc2cc(c1)O2
InChIInChI=1S/C8H8Cl2O2.C6H4O/c1-2-12-8-6(9)3-5(11)4-7(8)10;1-2-5-4-6(3-1)7-5/h3-4,11H,2H2,1H3;1-4H
InChIKeyGGEXCMRKFVRRLC-UHFFFAOYSA-N
MW299.15 g/mol
LogP4.89
Rot. Bonds2

About 3,5-dichloro-4-ethoxyphenol;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene

3,5-dichloro-4-ethoxyphenol;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene (PubChem CID 67576565) has the molecular formula C14H12Cl2O3 and a molecular weight of 299.15 g/mol. Its IUPAC name is 3,5-dichloro-4-ethoxyphenol;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene.

Molecular Properties

Compound Name3,5-dichloro-4-ethoxyphenol;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene
PubChem CID67576565
Molecular FormulaC14H12Cl2O3
Molecular Weight299.15 g/mol
Exact Mass298.02
IUPAC Name3,5-dichloro-4-ethoxyphenol;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene
SMILESCCOc1c(Cl)cc(O)cc1Cl.c1cc2cc(c1)O2
InChIInChI=1S/C8H8Cl2O2.C6H4O/c1-2-12-8-6(9)3-5(11)4-7(8)10;1-2-5-4-6(3-1)7-5/h3-4,11H,2H2,1H3;1-4H
InChIKeyGGEXCMRKFVRRLC-UHFFFAOYSA-N
XLogP4.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3,5-dichloro-4-[(4-phenylphenyl)methoxy]phenol
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3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol
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CID 126137936

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-ethoxyphenol;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene?
The IUPAC name of 3,5-dichloro-4-ethoxyphenol;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene (CID 67576565) is 3,5-dichloro-4-ethoxyphenol;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene.
What is the SMILES notation for 3,5-dichloro-4-ethoxyphenol;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene?
The canonical SMILES for 3,5-dichloro-4-ethoxyphenol;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene is CCOc1c(Cl)cc(O)cc1Cl.c1cc2cc(c1)O2.
What is the InChIKey of 3,5-dichloro-4-ethoxyphenol;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene?
The InChIKey is GGEXCMRKFVRRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O2.C6H4O/c1-2-12-8-6(9)3-5(11)4-7(8)10;1-2-5-4-6(3-1)7-5/h3-4,11H,2H2,1H3;1-4H.
What are the key properties of 3,5-dichloro-4-ethoxyphenol;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene?
3,5-dichloro-4-ethoxyphenol;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene has a molecular weight of 299.15 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-ethoxyphenol;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene is sourced from PubChem (CID 67576565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).