1-[2-(2-ethyl-1,3-dioxolan-2-yl)phenyl]-2,4-dimethylcyclopent-2-en-1-ol

C18H24O3 — CID 23014880

IUPAC1-[2-(2-ethyl-1,3-dioxolan-2-yl)phenyl]-2,4-dimethylcyclopent-2-en-1-ol
SMILESCCC1(c2ccccc2C2(O)CC(C)C=C2C)OCCO1
InChIInChI=1S/C18H24O3/c1-4-18(20-9-10-21-18)16-8-6-5-7-15(16)17(19)12-13(2)11-14(17)3/h5-8,11,13,19H,4,9-10,12H2,1-3H3
InChIKeyYNNNLYVWLDPISY-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.47
Rot. Bonds3

About 1-[2-(2-ethyl-1,3-dioxolan-2-yl)phenyl]-2,4-dimethylcyclopent-2-en-1-ol

1-[2-(2-ethyl-1,3-dioxolan-2-yl)phenyl]-2,4-dimethylcyclopent-2-en-1-ol (PubChem CID 23014880) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[2-(2-ethyl-1,3-dioxolan-2-yl)phenyl]-2,4-dimethylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name1-[2-(2-ethyl-1,3-dioxolan-2-yl)phenyl]-2,4-dimethylcyclopent-2-en-1-ol
PubChem CID23014880
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name1-[2-(2-ethyl-1,3-dioxolan-2-yl)phenyl]-2,4-dimethylcyclopent-2-en-1-ol
SMILESCCC1(c2ccccc2C2(O)CC(C)C=C2C)OCCO1
InChIInChI=1S/C18H24O3/c1-4-18(20-9-10-21-18)16-8-6-5-7-15(16)17(19)12-13(2)11-14(17)3/h5-8,11,13,19H,4,9-10,12H2,1-3H3
InChIKeyYNNNLYVWLDPISY-UHFFFAOYSA-N
XLogP3.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[2-(2-ethyl-1,3-dioxolan-2-yl)phenyl]-2,4-dimethylcyclopent-2-en-1-ol?
The IUPAC name of 1-[2-(2-ethyl-1,3-dioxolan-2-yl)phenyl]-2,4-dimethylcyclopent-2-en-1-ol (CID 23014880) is 1-[2-(2-ethyl-1,3-dioxolan-2-yl)phenyl]-2,4-dimethylcyclopent-2-en-1-ol.
What is the SMILES notation for 1-[2-(2-ethyl-1,3-dioxolan-2-yl)phenyl]-2,4-dimethylcyclopent-2-en-1-ol?
The canonical SMILES for 1-[2-(2-ethyl-1,3-dioxolan-2-yl)phenyl]-2,4-dimethylcyclopent-2-en-1-ol is CCC1(c2ccccc2C2(O)CC(C)C=C2C)OCCO1.
What is the InChIKey of 1-[2-(2-ethyl-1,3-dioxolan-2-yl)phenyl]-2,4-dimethylcyclopent-2-en-1-ol?
The InChIKey is YNNNLYVWLDPISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-4-18(20-9-10-21-18)16-8-6-5-7-15(16)17(19)12-13(2)11-14(17)3/h5-8,11,13,19H,4,9-10,12H2,1-3H3.
What are the key properties of 1-[2-(2-ethyl-1,3-dioxolan-2-yl)phenyl]-2,4-dimethylcyclopent-2-en-1-ol?
1-[2-(2-ethyl-1,3-dioxolan-2-yl)phenyl]-2,4-dimethylcyclopent-2-en-1-ol has a molecular weight of 288.39 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethyl-1,3-dioxolan-2-yl)phenyl]-2,4-dimethylcyclopent-2-en-1-ol is sourced from PubChem (CID 23014880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).