2,6-dichloro-6-ethylcyclohexa-2,4-dien-1-ol

C8H10Cl2O — CID 154271946

IUPAC2,6-dichloro-6-ethylcyclohexa-2,4-dien-1-ol
SMILESCCC1(Cl)C=CC=C(Cl)C1O
InChIInChI=1S/C8H10Cl2O/c1-2-8(10)5-3-4-6(9)7(8)11/h3-5,7,11H,2H2,1H3
InChIKeyWFFZLIWPQRJMPA-UHFFFAOYSA-N
MW193.07 g/mol
LogP2.43
Rot. Bonds1

About 2,6-dichloro-6-ethylcyclohexa-2,4-dien-1-ol

2,6-dichloro-6-ethylcyclohexa-2,4-dien-1-ol (PubChem CID 154271946) has the molecular formula C8H10Cl2O and a molecular weight of 193.07 g/mol. Its IUPAC name is 2,6-dichloro-6-ethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2,6-dichloro-6-ethylcyclohexa-2,4-dien-1-ol
PubChem CID154271946
Molecular FormulaC8H10Cl2O
Molecular Weight193.07 g/mol
Exact Mass192.01
IUPAC Name2,6-dichloro-6-ethylcyclohexa-2,4-dien-1-ol
SMILESCCC1(Cl)C=CC=C(Cl)C1O
InChIInChI=1S/C8H10Cl2O/c1-2-8(10)5-3-4-6(9)7(8)11/h3-5,7,11H,2H2,1H3
InChIKeyWFFZLIWPQRJMPA-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.07
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-6-ethylcyclohexa-2,4-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dichloro-6-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-2,4-dien-1-ol
CID 70363496
1-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone
CID 152697783
6-chloro-6-ethylcyclohexa-2,4-dien-1-ol
CID 154395848
2,6-dichloro-6-pentylcyclohexa-2,4-diene-1-carboxylic acid
CID 71093592
2,6-dichloro-6-(chloromethyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 67862925
2,6-ditert-butyl-6-ethylcyclohexa-2,4-dien-1-ol
CID 67083767
N-[(1,5-dichloro-6-methylcyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine
CID 175471819
carbamothioylazanium;1,5-dichloro-6-iodo-5-methylcyclohexa-1,3-diene
CID 135616763
5-chloro-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 141176231
(1S)-6-chloro-1-ethylcyclohexa-2,4-dien-1-ol
CID 175335226
(1S)-2-chloro-6-methylcyclohexa-2,4-dien-1-ol
CID 67478277
1-chloro-7-ethylcyclohepta-1,3,5-triene
CID 71395695

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-6-ethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 2,6-dichloro-6-ethylcyclohexa-2,4-dien-1-ol (CID 154271946) is 2,6-dichloro-6-ethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2,6-dichloro-6-ethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2,6-dichloro-6-ethylcyclohexa-2,4-dien-1-ol is CCC1(Cl)C=CC=C(Cl)C1O.
What is the InChIKey of 2,6-dichloro-6-ethylcyclohexa-2,4-dien-1-ol?
The InChIKey is WFFZLIWPQRJMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2O/c1-2-8(10)5-3-4-6(9)7(8)11/h3-5,7,11H,2H2,1H3.
What are the key properties of 2,6-dichloro-6-ethylcyclohexa-2,4-dien-1-ol?
2,6-dichloro-6-ethylcyclohexa-2,4-dien-1-ol has a molecular weight of 193.07 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-6-ethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 154271946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).