[1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate

C15H18O3 — CID 168800149

IUPAC[1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(c2ccc(O)cc2)CCCC1
InChIInChI=1S/C15H18O3/c1-11(2)14(17)18-15(9-3-4-10-15)12-5-7-13(16)8-6-12/h5-8,16H,1,3-4,9-10H2,2H3
InChIKeyHYLHWHYWDXWKPY-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.28
Rot. Bonds3

About [1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate

[1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate (PubChem CID 168800149) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is [1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate
PubChem CID168800149
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name[1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(c2ccc(O)cc2)CCCC1
InChIInChI=1S/C15H18O3/c1-11(2)14(17)18-15(9-3-4-10-15)12-5-7-13(16)8-6-12/h5-8,16H,1,3-4,9-10H2,2H3
InChIKeyHYLHWHYWDXWKPY-UHFFFAOYSA-N
XLogP3.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate?
The IUPAC name of [1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate (CID 168800149) is [1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate?
The canonical SMILES for [1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(c2ccc(O)cc2)CCCC1.
What is the InChIKey of [1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate?
The InChIKey is HYLHWHYWDXWKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-11(2)14(17)18-15(9-3-4-10-15)12-5-7-13(16)8-6-12/h5-8,16H,1,3-4,9-10H2,2H3.
What are the key properties of [1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate?
[1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate has a molecular weight of 246.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 168800149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).