2-[4-(2-hydroxyethyl)cyclopent-2-en-1-yl]propan-1-ol

C10H18O2 — CID 89359665

IUPAC2-[4-(2-hydroxyethyl)cyclopent-2-en-1-yl]propan-1-ol
SMILESCC(CO)C1C=CC(CCO)C1
InChIInChI=1S/C10H18O2/c1-8(7-12)10-3-2-9(6-10)4-5-11/h2-3,8-12H,4-7H2,1H3
InChIKeyZFRUKKPKMZZSED-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.19
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)cyclopent-2-en-1-yl]propan-1-ol

2-[4-(2-hydroxyethyl)cyclopent-2-en-1-yl]propan-1-ol (PubChem CID 89359665) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)cyclopent-2-en-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)cyclopent-2-en-1-yl]propan-1-ol
PubChem CID89359665
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[4-(2-hydroxyethyl)cyclopent-2-en-1-yl]propan-1-ol
SMILESCC(CO)C1C=CC(CCO)C1
InChIInChI=1S/C10H18O2/c1-8(7-12)10-3-2-9(6-10)4-5-11/h2-3,8-12H,4-7H2,1H3
InChIKeyZFRUKKPKMZZSED-UHFFFAOYSA-N
XLogP1.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)cyclopent-2-en-1-yl]propan-1-ol?
The IUPAC name of 2-[4-(2-hydroxyethyl)cyclopent-2-en-1-yl]propan-1-ol (CID 89359665) is 2-[4-(2-hydroxyethyl)cyclopent-2-en-1-yl]propan-1-ol.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)cyclopent-2-en-1-yl]propan-1-ol?
The canonical SMILES for 2-[4-(2-hydroxyethyl)cyclopent-2-en-1-yl]propan-1-ol is CC(CO)C1C=CC(CCO)C1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)cyclopent-2-en-1-yl]propan-1-ol?
The InChIKey is ZFRUKKPKMZZSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(7-12)10-3-2-9(6-10)4-5-11/h2-3,8-12H,4-7H2,1H3.
What are the key properties of 2-[4-(2-hydroxyethyl)cyclopent-2-en-1-yl]propan-1-ol?
2-[4-(2-hydroxyethyl)cyclopent-2-en-1-yl]propan-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)cyclopent-2-en-1-yl]propan-1-ol is sourced from PubChem (CID 89359665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).