(4-pentan-2-ylphenyl) 2-methylprop-2-enoate

C15H20O2 — CID 89171123

IUPAC(4-pentan-2-ylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C(C)CCC)cc1
InChIInChI=1S/C15H20O2/c1-5-6-12(4)13-7-9-14(10-8-13)17-15(16)11(2)3/h7-10,12H,2,5-6H2,1,3-4H3
InChIKeyCFMOHIXUVBGMNA-UHFFFAOYSA-N
MW232.32 g/mol
LogP4.07
Rot. Bonds5

About (4-pentan-2-ylphenyl) 2-methylprop-2-enoate

(4-pentan-2-ylphenyl) 2-methylprop-2-enoate (PubChem CID 89171123) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (4-pentan-2-ylphenyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-pentan-2-ylphenyl) 2-methylprop-2-enoate
PubChem CID89171123
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(4-pentan-2-ylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C(C)CCC)cc1
InChIInChI=1S/C15H20O2/c1-5-6-12(4)13-7-9-14(10-8-13)17-15(16)11(2)3/h7-10,12H,2,5-6H2,1,3-4H3
InChIKeyCFMOHIXUVBGMNA-UHFFFAOYSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate
CID 169009058
[4-[3-(4-propylphenyl)pentyl]phenyl] 2-methylprop-2-enoate
CID 57056990
(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
[4-[4-[4-(1-prop-2-enoyloxypropan-2-yl)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155628427
phenyl 4-pentan-2-ylbenzoate
CID 57043329
(4-butanoylsulfanylphenyl) 2-methylprop-2-enoate
CID 139751824
[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 18459584
4-butan-2-ylphenol;(4-butan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate
CID 160641864
[4-[4-(2-methylprop-2-enoyloxy)benzoyl]phenyl] 2-methylprop-2-enoate
CID 86688842
(3-propan-2-yl-4-propylphenyl) 2-methylprop-2-enoate
CID 150431295
[4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate
CID 172846034
[4-butoxy-2,5-bis[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylpropanoate
CID 121336175

Frequently Asked Questions

What is the IUPAC name of (4-pentan-2-ylphenyl) 2-methylprop-2-enoate?
The IUPAC name of (4-pentan-2-ylphenyl) 2-methylprop-2-enoate (CID 89171123) is (4-pentan-2-ylphenyl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-pentan-2-ylphenyl) 2-methylprop-2-enoate?
The canonical SMILES for (4-pentan-2-ylphenyl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(C(C)CCC)cc1.
What is the InChIKey of (4-pentan-2-ylphenyl) 2-methylprop-2-enoate?
The InChIKey is CFMOHIXUVBGMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-5-6-12(4)13-7-9-14(10-8-13)17-15(16)11(2)3/h7-10,12H,2,5-6H2,1,3-4H3.
What are the key properties of (4-pentan-2-ylphenyl) 2-methylprop-2-enoate?
(4-pentan-2-ylphenyl) 2-methylprop-2-enoate has a molecular weight of 232.32 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pentan-2-ylphenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 89171123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).