2-(3-chlorocyclopenta-2,4-dien-1-yl)ethanol

C7H9ClO — CID 167197408

IUPAC2-(3-chlorocyclopenta-2,4-dien-1-yl)ethanol
SMILESOCCC1C=CC(Cl)=C1
InChIInChI=1S/C7H9ClO/c8-7-2-1-6(5-7)3-4-9/h1-2,5-6,9H,3-4H2
InChIKeyUQVHTCYQFBEVIA-UHFFFAOYSA-N
MW144.60 g/mol
LogP1.68
Rot. Bonds2

About 2-(3-chlorocyclopenta-2,4-dien-1-yl)ethanol

2-(3-chlorocyclopenta-2,4-dien-1-yl)ethanol (PubChem CID 167197408) has the molecular formula C7H9ClO and a molecular weight of 144.60 g/mol. Its IUPAC name is 2-(3-chlorocyclopenta-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-chlorocyclopenta-2,4-dien-1-yl)ethanol
PubChem CID167197408
Molecular FormulaC7H9ClO
Molecular Weight144.60 g/mol
Exact Mass144.03
IUPAC Name2-(3-chlorocyclopenta-2,4-dien-1-yl)ethanol
SMILESOCCC1C=CC(Cl)=C1
InChIInChI=1S/C7H9ClO/c8-7-2-1-6(5-7)3-4-9/h1-2,5-6,9H,3-4H2
InChIKeyUQVHTCYQFBEVIA-UHFFFAOYSA-N
XLogP1.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorocyclopenta-2,4-dien-1-yl)ethanol?
The IUPAC name of 2-(3-chlorocyclopenta-2,4-dien-1-yl)ethanol (CID 167197408) is 2-(3-chlorocyclopenta-2,4-dien-1-yl)ethanol.
What is the SMILES notation for 2-(3-chlorocyclopenta-2,4-dien-1-yl)ethanol?
The canonical SMILES for 2-(3-chlorocyclopenta-2,4-dien-1-yl)ethanol is OCCC1C=CC(Cl)=C1.
What is the InChIKey of 2-(3-chlorocyclopenta-2,4-dien-1-yl)ethanol?
The InChIKey is UQVHTCYQFBEVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO/c8-7-2-1-6(5-7)3-4-9/h1-2,5-6,9H,3-4H2.
What are the key properties of 2-(3-chlorocyclopenta-2,4-dien-1-yl)ethanol?
2-(3-chlorocyclopenta-2,4-dien-1-yl)ethanol has a molecular weight of 144.60 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorocyclopenta-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 167197408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).