2-cyclopentylidene-2-ethoxy-1-phenylethanol

C15H20O2 — CID 51003013

IUPAC2-cyclopentylidene-2-ethoxy-1-phenylethanol
SMILESCCOC(=C1CCCC1)C(O)c1ccccc1
InChIInChI=1S/C15H20O2/c1-2-17-15(13-10-6-7-11-13)14(16)12-8-4-3-5-9-12/h3-5,8-9,14,16H,2,6-7,10-11H2,1H3
InChIKeyJBKNRWUUSQSYHA-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.58
Rot. Bonds4

About 2-cyclopentylidene-2-ethoxy-1-phenylethanol

2-cyclopentylidene-2-ethoxy-1-phenylethanol (PubChem CID 51003013) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-cyclopentylidene-2-ethoxy-1-phenylethanol.

Molecular Properties

Compound Name2-cyclopentylidene-2-ethoxy-1-phenylethanol
PubChem CID51003013
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-cyclopentylidene-2-ethoxy-1-phenylethanol
SMILESCCOC(=C1CCCC1)C(O)c1ccccc1
InChIInChI=1S/C15H20O2/c1-2-17-15(13-10-6-7-11-13)14(16)12-8-4-3-5-9-12/h3-5,8-9,14,16H,2,6-7,10-11H2,1H3
InChIKeyJBKNRWUUSQSYHA-UHFFFAOYSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
2-cyclopentylidene-1,2-diphenylethanol
CID 14448697
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 885195
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
ethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate
CID 23243327
ethyl (Z)-3-(4-fluorophenyl)-2-[hydroxy(phenyl)methyl]but-2-enoate
CID 102487735
2-(2-ethoxyphenoxy)-1-phenylethanol
CID 60730563
2-hydroxy-2-phenyl-N,N-dipropylacetamide
CID 54160997

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylidene-2-ethoxy-1-phenylethanol?
The IUPAC name of 2-cyclopentylidene-2-ethoxy-1-phenylethanol (CID 51003013) is 2-cyclopentylidene-2-ethoxy-1-phenylethanol.
What is the SMILES notation for 2-cyclopentylidene-2-ethoxy-1-phenylethanol?
The canonical SMILES for 2-cyclopentylidene-2-ethoxy-1-phenylethanol is CCOC(=C1CCCC1)C(O)c1ccccc1.
What is the InChIKey of 2-cyclopentylidene-2-ethoxy-1-phenylethanol?
The InChIKey is JBKNRWUUSQSYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-17-15(13-10-6-7-11-13)14(16)12-8-4-3-5-9-12/h3-5,8-9,14,16H,2,6-7,10-11H2,1H3.
What are the key properties of 2-cyclopentylidene-2-ethoxy-1-phenylethanol?
2-cyclopentylidene-2-ethoxy-1-phenylethanol has a molecular weight of 232.32 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylidene-2-ethoxy-1-phenylethanol is sourced from PubChem (CID 51003013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).