[4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]methyl 2-methylprop-2-enoate

C21H26O4 — CID 118458159

IUPAC[4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCC(c2ccc(OC(=O)C(=C)C)cc2)CC1
InChIInChI=1S/C21H26O4/c1-14(2)20(22)24-13-16-5-7-17(8-6-16)18-9-11-19(12-10-18)25-21(23)15(3)4/h9-12,16-17H,1,3,5-8,13H2,2,4H3
InChIKeyFKJNNWAMRLEUAS-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.56
Rot. Bonds6

About [4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]methyl 2-methylprop-2-enoate

[4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]methyl 2-methylprop-2-enoate (PubChem CID 118458159) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is [4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]methyl 2-methylprop-2-enoate
PubChem CID118458159
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Name[4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCC(c2ccc(OC(=O)C(=C)C)cc2)CC1
InChIInChI=1S/C21H26O4/c1-14(2)20(22)24-13-16-5-7-17(8-6-16)18-9-11-19(12-10-18)25-21(23)15(3)4/h9-12,16-17H,1,3,5-8,13H2,2,4H3
InChIKeyFKJNNWAMRLEUAS-UHFFFAOYSA-N
XLogP4.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-methoxy-3-oxoprop-1-en-2-yl)cyclohexyl]phenyl] 2-methylprop-2-enoate
CID 174634328
[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl] 2-methylprop-2-enoate
CID 138517239
methane;[4-[[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]cyclohexyl]methyl]phenyl]methyl 2-methylprop-2-enoate
CID 162209413
3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]phenyl]propyl 2-methylprop-2-enoate
CID 118458100
(4-methylcyclohexyl)methyl 2-methylprop-2-enoate
CID 22737447
(4-propylcyclohexyl)methyl 2-methylprop-2-enoate
CID 123563318
[4-[4-[[4-(2-methylprop-2-enoyloxymethyl)phenyl]methyl]cyclohexyl]phenyl]methyl 2-methylpropanoate
CID 118530038
[4-[4-(2-methylprop-2-enoyloxy)-3-[4-(4-propylcyclohexyl)phenyl]phenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 146668096
[4-(acetamidomethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 58651922
(4-ethoxycyclohexyl)methyl 2-methylprop-2-enoate
CID 139934588
6-[4-(4-pentylcyclohexyl)phenoxy]hexyl 6-(2-methylprop-2-enoyloxy)hexanoate
CID 58019591
thian-4-ylmethyl 2-methylprop-2-enoate
CID 163835794

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]methyl 2-methylprop-2-enoate (CID 118458159) is [4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1CCC(c2ccc(OC(=O)C(=C)C)cc2)CC1.
What is the InChIKey of [4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]methyl 2-methylprop-2-enoate?
The InChIKey is FKJNNWAMRLEUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O4/c1-14(2)20(22)24-13-16-5-7-17(8-6-16)18-9-11-19(12-10-18)25-21(23)15(3)4/h9-12,16-17H,1,3,5-8,13H2,2,4H3.
What are the key properties of [4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]methyl 2-methylprop-2-enoate?
[4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]methyl 2-methylprop-2-enoate has a molecular weight of 342.44 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 118458159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).