2,4-dichlorocyclohexa-1,3-dien-1-ol

C6H6Cl2O — CID 18695873

IUPAC2,4-dichlorocyclohexa-1,3-dien-1-ol
SMILESOC1=C(Cl)C=C(Cl)CC1
InChIInChI=1S/C6H6Cl2O/c7-4-1-2-6(9)5(8)3-4/h3,9H,1-2H2
InChIKeyOELMFNMJNLTMAK-UHFFFAOYSA-N
MW165.02 g/mol
LogP2.91
Rot. Bonds

About 2,4-dichlorocyclohexa-1,3-dien-1-ol

2,4-dichlorocyclohexa-1,3-dien-1-ol (PubChem CID 18695873) has the molecular formula C6H6Cl2O and a molecular weight of 165.02 g/mol. Its IUPAC name is 2,4-dichlorocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2,4-dichlorocyclohexa-1,3-dien-1-ol
PubChem CID18695873
Molecular FormulaC6H6Cl2O
Molecular Weight165.02 g/mol
Exact Mass163.98
IUPAC Name2,4-dichlorocyclohexa-1,3-dien-1-ol
SMILESOC1=C(Cl)C=C(Cl)CC1
InChIInChI=1S/C6H6Cl2O/c7-4-1-2-6(9)5(8)3-4/h3,9H,1-2H2
InChIKeyOELMFNMJNLTMAK-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.02
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 129848490
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CID 171714602
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CID 17938700
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CID 19889440
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CID 20253585
CID 20253585
CID 23073603
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CID 68342248
CID 68342248

Frequently Asked Questions

What is the IUPAC name of 2,4-dichlorocyclohexa-1,3-dien-1-ol?
The IUPAC name of 2,4-dichlorocyclohexa-1,3-dien-1-ol (CID 18695873) is 2,4-dichlorocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2,4-dichlorocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2,4-dichlorocyclohexa-1,3-dien-1-ol is OC1=C(Cl)C=C(Cl)CC1.
What is the InChIKey of 2,4-dichlorocyclohexa-1,3-dien-1-ol?
The InChIKey is OELMFNMJNLTMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2O/c7-4-1-2-6(9)5(8)3-4/h3,9H,1-2H2.
What are the key properties of 2,4-dichlorocyclohexa-1,3-dien-1-ol?
2,4-dichlorocyclohexa-1,3-dien-1-ol has a molecular weight of 165.02 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichlorocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 18695873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).