2-[[4-[(4-phenylphenoxy)methyl]cyclohexyl]methoxy]ethyl 2-methylprop-2-enoate

C26H32O4 — CID 58141884

IUPAC2-[[4-[(4-phenylphenoxy)methyl]cyclohexyl]methoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCC1CCC(COc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C26H32O4/c1-20(2)26(27)29-17-16-28-18-21-8-10-22(11-9-21)19-30-25-14-12-24(13-15-25)23-6-4-3-5-7-23/h3-7,12-15,21-22H,1,8-11,16-19H2,2H3
InChIKeyJACOACSKQPFJAL-UHFFFAOYSA-N
MW408.54 g/mol
LogP5.67
Rot. Bonds10

About 2-[[4-[(4-phenylphenoxy)methyl]cyclohexyl]methoxy]ethyl 2-methylprop-2-enoate

2-[[4-[(4-phenylphenoxy)methyl]cyclohexyl]methoxy]ethyl 2-methylprop-2-enoate (PubChem CID 58141884) has the molecular formula C26H32O4 and a molecular weight of 408.54 g/mol. Its IUPAC name is 2-[[4-[(4-phenylphenoxy)methyl]cyclohexyl]methoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[4-[(4-phenylphenoxy)methyl]cyclohexyl]methoxy]ethyl 2-methylprop-2-enoate
PubChem CID58141884
Molecular FormulaC26H32O4
Molecular Weight408.54 g/mol
Exact Mass408.23
IUPAC Name2-[[4-[(4-phenylphenoxy)methyl]cyclohexyl]methoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCC1CCC(COc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C26H32O4/c1-20(2)26(27)29-17-16-28-18-21-8-10-22(11-9-21)19-30-25-14-12-24(13-15-25)23-6-4-3-5-7-23/h3-7,12-15,21-22H,1,8-11,16-19H2,2H3
InChIKeyJACOACSKQPFJAL-UHFFFAOYSA-N
XLogP5.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
2-[4-(3-fluoro-4-phenylphenyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 67641327
[2-hydroxy-3-[[4-[(2-hydroxy-3-phenoxypropoxy)methyl]cyclohexyl]methoxy]propyl] 2-methylprop-2-enoate
CID 67511890
2-[2-[2-[4-(4-cyanophenyl)phenoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102215087
benzoic acid;6-(4-phenylphenoxy)hexyl 2-methylprop-2-enoate
CID 162035072
4-[4-(4-phenoxybutoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139664490
5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate
CID 118286214
2-[4-[4-(2-propanoyloxyethoxy)phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 163508715
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 138664730
[2-fluoro-4-[4-[11-(oxan-4-ylmethoxy)undecoxy]phenyl]phenyl] 2-methylprop-2-enoate
CID 139316772
4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139671734

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-phenylphenoxy)methyl]cyclohexyl]methoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[4-[(4-phenylphenoxy)methyl]cyclohexyl]methoxy]ethyl 2-methylprop-2-enoate (CID 58141884) is 2-[[4-[(4-phenylphenoxy)methyl]cyclohexyl]methoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[4-[(4-phenylphenoxy)methyl]cyclohexyl]methoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[4-[(4-phenylphenoxy)methyl]cyclohexyl]methoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCC1CCC(COc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 2-[[4-[(4-phenylphenoxy)methyl]cyclohexyl]methoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is JACOACSKQPFJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O4/c1-20(2)26(27)29-17-16-28-18-21-8-10-22(11-9-21)19-30-25-14-12-24(13-15-25)23-6-4-3-5-7-23/h3-7,12-15,21-22H,1,8-11,16-19H2,2H3.
What are the key properties of 2-[[4-[(4-phenylphenoxy)methyl]cyclohexyl]methoxy]ethyl 2-methylprop-2-enoate?
2-[[4-[(4-phenylphenoxy)methyl]cyclohexyl]methoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 408.54 g/mol, XLogP of 5.67, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-phenylphenoxy)methyl]cyclohexyl]methoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 58141884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).