2,2-dichloro-1-cyclopenta-2,4-dien-1-ylideneethanol

C7H6Cl2O — CID 12723680

IUPAC2,2-dichloro-1-cyclopenta-2,4-dien-1-ylideneethanol
SMILESOC(=C1C=CC=C1)C(Cl)Cl
InChIInChI=1S/C7H6Cl2O/c8-7(9)6(10)5-3-1-2-4-5/h1-4,7,10H
InChIKeyHOPHZDKLKIHYMB-UHFFFAOYSA-N
MW177.03 g/mol
LogP2.73
Rot. Bonds1

About 2,2-dichloro-1-cyclopenta-2,4-dien-1-ylideneethanol

2,2-dichloro-1-cyclopenta-2,4-dien-1-ylideneethanol (PubChem CID 12723680) has the molecular formula C7H6Cl2O and a molecular weight of 177.03 g/mol. Its IUPAC name is 2,2-dichloro-1-cyclopenta-2,4-dien-1-ylideneethanol.

Molecular Properties

Compound Name2,2-dichloro-1-cyclopenta-2,4-dien-1-ylideneethanol
PubChem CID12723680
Molecular FormulaC7H6Cl2O
Molecular Weight177.03 g/mol
Exact Mass175.98
IUPAC Name2,2-dichloro-1-cyclopenta-2,4-dien-1-ylideneethanol
SMILESOC(=C1C=CC=C1)C(Cl)Cl
InChIInChI=1S/C7H6Cl2O/c8-7(9)6(10)5-3-1-2-4-5/h1-4,7,10H
InChIKeyHOPHZDKLKIHYMB-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.03
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

tetrakis(cyclopenta-2,4-dien-1-ylidenemethanediolate);hafnium(4+);bis(iron(2+))
CID 178076225
bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron
CID 171395328
bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);ruthenium(2+)
CID 158604090
5-(difluoromethylidene)cyclopenta-1,3-diene
CID 13428390
chloro(cyclopenta-2,4-dien-1-ylidene)methanol;cobalt;cyclopenta-1,3-diene
CID 167440879
5-penta-1,4-dien-3-ylidenecyclopenta-1,3-diene
CID 18349422
1-cyclopenta-2,4-dien-1-ylidene-3-methylbut-2-en-1-ol
CID 140977465
2-amino-1-cyclopenta-2,4-dien-1-ylidenetridecan-1-ol;cyclopenta-1,3-diene;iron
CID 170566479
cyclohexyl(cyclopenta-2,4-dien-1-ylidene)methanol
CID 140977539
5-[di(cyclopenta-2,4-dien-1-yl)methylidene]cyclopenta-1,3-diene
CID 101465899
2-cyclopenta-2,4-dien-1-ylidenepropan-1-ol
CID 12575364
5-butan-2-ylidenecyclopenta-1,3-diene
CID 162397478

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-cyclopenta-2,4-dien-1-ylideneethanol?
The IUPAC name of 2,2-dichloro-1-cyclopenta-2,4-dien-1-ylideneethanol (CID 12723680) is 2,2-dichloro-1-cyclopenta-2,4-dien-1-ylideneethanol.
What is the SMILES notation for 2,2-dichloro-1-cyclopenta-2,4-dien-1-ylideneethanol?
The canonical SMILES for 2,2-dichloro-1-cyclopenta-2,4-dien-1-ylideneethanol is OC(=C1C=CC=C1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-cyclopenta-2,4-dien-1-ylideneethanol?
The InChIKey is HOPHZDKLKIHYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2O/c8-7(9)6(10)5-3-1-2-4-5/h1-4,7,10H.
What are the key properties of 2,2-dichloro-1-cyclopenta-2,4-dien-1-ylideneethanol?
2,2-dichloro-1-cyclopenta-2,4-dien-1-ylideneethanol has a molecular weight of 177.03 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-cyclopenta-2,4-dien-1-ylideneethanol is sourced from PubChem (CID 12723680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).