1,5-dichloro-6-(1-phenylethyl)cyclohexa-1,3-diene

C14H14Cl2 — CID 173052194

IUPAC1,5-dichloro-6-(1-phenylethyl)cyclohexa-1,3-diene
SMILESCC(c1ccccc1)C1C(Cl)=CC=CC1Cl
InChIInChI=1S/C14H14Cl2/c1-10(11-6-3-2-4-7-11)14-12(15)8-5-9-13(14)16/h2-10,12,14H,1H3
InChIKeyFODFPOUOWQCGIH-UHFFFAOYSA-N
MW253.17 g/mol
LogP4.71
Rot. Bonds2

About 1,5-dichloro-6-(1-phenylethyl)cyclohexa-1,3-diene

1,5-dichloro-6-(1-phenylethyl)cyclohexa-1,3-diene (PubChem CID 173052194) has the molecular formula C14H14Cl2 and a molecular weight of 253.17 g/mol. Its IUPAC name is 1,5-dichloro-6-(1-phenylethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,5-dichloro-6-(1-phenylethyl)cyclohexa-1,3-diene
PubChem CID173052194
Molecular FormulaC14H14Cl2
Molecular Weight253.17 g/mol
Exact Mass252.05
IUPAC Name1,5-dichloro-6-(1-phenylethyl)cyclohexa-1,3-diene
SMILESCC(c1ccccc1)C1C(Cl)=CC=CC1Cl
InChIInChI=1S/C14H14Cl2/c1-10(11-6-3-2-4-7-11)14-12(15)8-5-9-13(14)16/h2-10,12,14H,1H3
InChIKeyFODFPOUOWQCGIH-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.17
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

chloromethane;cumene;ethane
CID 160847695
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
cumene;hydrogen peroxide
CID 21225480
cumene;zinc
CID 159490121
cumene;2-methylpropane
CID 90828344
cumene;ethane
CID 54306132
[(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene
CID 141345784
2-(1-phenylethyl)-2H-pyran
CID 155618622
CID 160506105
CID 160506105
cumene;ethane;bis(2-methylpropane)
CID 161044029

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-6-(1-phenylethyl)cyclohexa-1,3-diene?
The IUPAC name of 1,5-dichloro-6-(1-phenylethyl)cyclohexa-1,3-diene (CID 173052194) is 1,5-dichloro-6-(1-phenylethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1,5-dichloro-6-(1-phenylethyl)cyclohexa-1,3-diene?
The canonical SMILES for 1,5-dichloro-6-(1-phenylethyl)cyclohexa-1,3-diene is CC(c1ccccc1)C1C(Cl)=CC=CC1Cl.
What is the InChIKey of 1,5-dichloro-6-(1-phenylethyl)cyclohexa-1,3-diene?
The InChIKey is FODFPOUOWQCGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2/c1-10(11-6-3-2-4-7-11)14-12(15)8-5-9-13(14)16/h2-10,12,14H,1H3.
What are the key properties of 1,5-dichloro-6-(1-phenylethyl)cyclohexa-1,3-diene?
1,5-dichloro-6-(1-phenylethyl)cyclohexa-1,3-diene has a molecular weight of 253.17 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-6-(1-phenylethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 173052194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).