[2,3,5,6-tetrachloro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol

C8H8Cl4O2 — CID 66712797

IUPAC[2,3,5,6-tetrachloro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol
SMILESOCC1C(Cl)=C(Cl)C=C(Cl)C1(Cl)CO
InChIInChI=1S/C8H8Cl4O2/c9-5-1-6(10)8(12,3-14)4(2-13)7(5)11/h1,4,13-14H,2-3H2
InChIKeyHJQUTAVADMSEGE-UHFFFAOYSA-N
MW277.96 g/mol
LogP2.39
Rot. Bonds2

About [2,3,5,6-tetrachloro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol

[2,3,5,6-tetrachloro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol (PubChem CID 66712797) has the molecular formula C8H8Cl4O2 and a molecular weight of 277.96 g/mol. Its IUPAC name is [2,3,5,6-tetrachloro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[2,3,5,6-tetrachloro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol
PubChem CID66712797
Molecular FormulaC8H8Cl4O2
Molecular Weight277.96 g/mol
Exact Mass275.93
IUPAC Name[2,3,5,6-tetrachloro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol
SMILESOCC1C(Cl)=C(Cl)C=C(Cl)C1(Cl)CO
InChIInChI=1S/C8H8Cl4O2/c9-5-1-6(10)8(12,3-14)4(2-13)7(5)11/h1,4,13-14H,2-3H2
InChIKeyHJQUTAVADMSEGE-UHFFFAOYSA-N
XLogP2.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.96
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,3,5,6-tetrachloro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [2,3,5,6-tetrachloro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol (CID 66712797) is [2,3,5,6-tetrachloro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [2,3,5,6-tetrachloro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [2,3,5,6-tetrachloro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol is OCC1C(Cl)=C(Cl)C=C(Cl)C1(Cl)CO.
What is the InChIKey of [2,3,5,6-tetrachloro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is HJQUTAVADMSEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl4O2/c9-5-1-6(10)8(12,3-14)4(2-13)7(5)11/h1,4,13-14H,2-3H2.
What are the key properties of [2,3,5,6-tetrachloro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol?
[2,3,5,6-tetrachloro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 277.96 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,5,6-tetrachloro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 66712797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).