1-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone

C8H8Cl2O2 — CID 152697783

IUPAC1-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone
SMILESCC(=O)C1(Cl)C=CC=C(Cl)C1O
InChIInChI=1S/C8H8Cl2O2/c1-5(11)8(10)4-2-3-6(9)7(8)12/h2-4,7,12H,1H3
InChIKeyZQXWVZPBAPTKHR-UHFFFAOYSA-N
MW207.06 g/mol
LogP1.61
Rot. Bonds1

About 1-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone

1-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone (PubChem CID 152697783) has the molecular formula C8H8Cl2O2 and a molecular weight of 207.06 g/mol. Its IUPAC name is 1-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone
PubChem CID152697783
Molecular FormulaC8H8Cl2O2
Molecular Weight207.06 g/mol
Exact Mass205.99
IUPAC Name1-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone
SMILESCC(=O)C1(Cl)C=CC=C(Cl)C1O
InChIInChI=1S/C8H8Cl2O2/c1-5(11)8(10)4-2-3-6(9)7(8)12/h2-4,7,12H,1H3
InChIKeyZQXWVZPBAPTKHR-UHFFFAOYSA-N
XLogP1.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-6-ethylcyclohexa-2,4-dien-1-ol
CID 154271946
1-(1,6-dichlorocyclohexa-2,4-dien-1-yl)ethanone
CID 150946013
2,6-dichloro-6-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-2,4-dien-1-ol
CID 70363496
2,6-dichloro-6-(chloromethyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 67862925
2,6-dichloro-6-pentylcyclohexa-2,4-diene-1-carboxylic acid
CID 71093592
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
ethyl 2,6-dichloro-6-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclohexa-2,4-diene-1-carboxylate
CID 174988664
5-chloro-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 141176231
5-chloro-5,6-dimethylcyclohexa-1,3-diene-1-carbonyl chloride
CID 173295029
1-(5-chloro-6,6-difluorocyclohexa-2,4-dien-1-yl)ethanone
CID 151337388
1-(5,6-dihydroxy-5-propylcyclohexa-1,3-dien-1-yl)ethanone
CID 70374779

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone?
The IUPAC name of 1-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone (CID 152697783) is 1-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone.
What is the SMILES notation for 1-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone?
The canonical SMILES for 1-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone is CC(=O)C1(Cl)C=CC=C(Cl)C1O.
What is the InChIKey of 1-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone?
The InChIKey is ZQXWVZPBAPTKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O2/c1-5(11)8(10)4-2-3-6(9)7(8)12/h2-4,7,12H,1H3.
What are the key properties of 1-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone?
1-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone has a molecular weight of 207.06 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone is sourced from PubChem (CID 152697783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).