1,1-dichloropenta-1,3-diene;phenol

C11H12Cl2O — CID 158318458

IUPAC1,1-dichloropenta-1,3-diene;phenol
SMILESCC=CC=C(Cl)Cl.Oc1ccccc1
InChIInChI=1S/C6H6O.C5H6Cl2/c7-6-4-2-1-3-5-6;1-2-3-4-5(6)7/h1-5,7H;2-4H,1H3
InChIKeyGONZCXAADHMWLG-UHFFFAOYSA-N
MW231.12 g/mol
LogP4.27
Rot. Bonds1

About 1,1-dichloropenta-1,3-diene;phenol

1,1-dichloropenta-1,3-diene;phenol (PubChem CID 158318458) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is 1,1-dichloropenta-1,3-diene;phenol.

Molecular Properties

Compound Name1,1-dichloropenta-1,3-diene;phenol
PubChem CID158318458
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name1,1-dichloropenta-1,3-diene;phenol
SMILESCC=CC=C(Cl)Cl.Oc1ccccc1
InChIInChI=1S/C6H6O.C5H6Cl2/c7-6-4-2-1-3-5-6;1-2-3-4-5(6)7/h1-5,7H;2-4H,1H3
InChIKeyGONZCXAADHMWLG-UHFFFAOYSA-N
XLogP4.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Hydroquinone
CID 785
Phenol
CID 996
4-Iodophenol
CID 10894
4-Fluorophenol
CID 9732
2-Iodophenol
CID 10784
2-Fluorophenol
CID 9707
Mercufenol Chloride
CID 6999
Sodium phenoxide
CID 66602278
3-Fluorophenol
CID 9743
3-Iodophenol
CID 12272
4-(Trimethylsilyl)phenol
CID 25732
Phenol-d6
CID 123295

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloropenta-1,3-diene;phenol?
The IUPAC name of 1,1-dichloropenta-1,3-diene;phenol (CID 158318458) is 1,1-dichloropenta-1,3-diene;phenol.
What is the SMILES notation for 1,1-dichloropenta-1,3-diene;phenol?
The canonical SMILES for 1,1-dichloropenta-1,3-diene;phenol is CC=CC=C(Cl)Cl.Oc1ccccc1.
What is the InChIKey of 1,1-dichloropenta-1,3-diene;phenol?
The InChIKey is GONZCXAADHMWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C5H6Cl2/c7-6-4-2-1-3-5-6;1-2-3-4-5(6)7/h1-5,7H;2-4H,1H3.
What are the key properties of 1,1-dichloropenta-1,3-diene;phenol?
1,1-dichloropenta-1,3-diene;phenol has a molecular weight of 231.12 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloropenta-1,3-diene;phenol is sourced from PubChem (CID 158318458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).