5-chloro-5-(1-chlorocyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-diene

C12H12Cl2O — CID 163604967

IUPAC5-chloro-5-(1-chlorocyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-diene
SMILESClC1(OC2(Cl)C=CC=CC2)C=CC=CC1
InChIInChI=1S/C12H12Cl2O/c13-11(7-3-1-4-8-11)15-12(14)9-5-2-6-10-12/h1-7,9H,8,10H2
InChIKeyHAYNFDDZVUGHON-UHFFFAOYSA-N
MW243.13 g/mol
LogP3.91
Rot. Bonds2

About 5-chloro-5-(1-chlorocyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-diene

5-chloro-5-(1-chlorocyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-diene (PubChem CID 163604967) has the molecular formula C12H12Cl2O and a molecular weight of 243.13 g/mol. Its IUPAC name is 5-chloro-5-(1-chlorocyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5-chloro-5-(1-chlorocyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-diene
PubChem CID163604967
Molecular FormulaC12H12Cl2O
Molecular Weight243.13 g/mol
Exact Mass242.03
IUPAC Name5-chloro-5-(1-chlorocyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-diene
SMILESClC1(OC2(Cl)C=CC=CC2)C=CC=CC1
InChIInChI=1S/C12H12Cl2O/c13-11(7-3-1-4-8-11)15-12(14)9-5-2-6-10-12/h1-7,9H,8,10H2
InChIKeyHAYNFDDZVUGHON-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-chloro-5-(1-chlorocyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-diene 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

1-chlorocyclohexa-2,4-diene-1-thiol
CID 155669989
spiro[4.5]deca-1,3,7,9-tetraene
CID 59741992
5-chloro-5-prop-1-enylcyclohexa-1,3-diene
CID 150718617
(NE)-N-[(1-chlorocyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine
CID 19876896
CID 163995556
CID 163995556
cyclohexa-2,4-diene-1,1-diamine;tetrahydrochloride
CID 19421136
[[(1R)-1-aminocyclohexa-2,4-dien-1-yl]amino] hydrogen sulfate
CID 97049650
1-(1-chlorocyclohexa-2,4-dien-1-yl)oxy-1-(1H-imidazol-2-yl)butan-2-one
CID 67900756
cyclohexa-2,4-diene-1,1-diamine;methanamine
CID 174570033
(2R)-2-(1-chlorocyclohexa-2,4-dien-1-yl)-2-hydroxyacetonitrile
CID 154217045
5,5-di(propan-2-yl)cyclohexa-1,3-diene;5,5-di(propan-2-yl)cyclopenta-1,3-diene
CID 162280837
5-bromo-5-iodocyclohexa-1,3-diene;hydrate
CID 172757994

Frequently Asked Questions

What is the IUPAC name of 5-chloro-5-(1-chlorocyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-diene?
The IUPAC name of 5-chloro-5-(1-chlorocyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-diene (CID 163604967) is 5-chloro-5-(1-chlorocyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-diene.
What is the SMILES notation for 5-chloro-5-(1-chlorocyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-diene?
The canonical SMILES for 5-chloro-5-(1-chlorocyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-diene is ClC1(OC2(Cl)C=CC=CC2)C=CC=CC1.
What is the InChIKey of 5-chloro-5-(1-chlorocyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-diene?
The InChIKey is HAYNFDDZVUGHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O/c13-11(7-3-1-4-8-11)15-12(14)9-5-2-6-10-12/h1-7,9H,8,10H2.
What are the key properties of 5-chloro-5-(1-chlorocyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-diene?
5-chloro-5-(1-chlorocyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-diene has a molecular weight of 243.13 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-5-(1-chlorocyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-diene is sourced from PubChem (CID 163604967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).