6-(2-phenylphenoxy)carbonyloxyhexyl 2-methylprop-2-enoate

C23H26O5 — CID 171768489

IUPAC6-(2-phenylphenoxy)carbonyloxyhexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCOC(=O)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C23H26O5/c1-18(2)22(24)26-16-10-3-4-11-17-27-23(25)28-21-15-9-8-14-20(21)19-12-6-5-7-13-19/h5-9,12-15H,1,3-4,10-11,16-17H2,2H3
InChIKeyGGSFFUSKBGXEEX-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.55
Rot. Bonds10

About 6-(2-phenylphenoxy)carbonyloxyhexyl 2-methylprop-2-enoate

6-(2-phenylphenoxy)carbonyloxyhexyl 2-methylprop-2-enoate (PubChem CID 171768489) has the molecular formula C23H26O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is 6-(2-phenylphenoxy)carbonyloxyhexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6-(2-phenylphenoxy)carbonyloxyhexyl 2-methylprop-2-enoate
PubChem CID171768489
Molecular FormulaC23H26O5
Molecular Weight382.46 g/mol
Exact Mass382.18
IUPAC Name6-(2-phenylphenoxy)carbonyloxyhexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCOC(=O)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C23H26O5/c1-18(2)22(24)26-16-10-3-4-11-17-27-23(25)28-21-15-9-8-14-20(21)19-12-6-5-7-13-19/h5-9,12-15H,1,3-4,10-11,16-17H2,2H3
InChIKeyGGSFFUSKBGXEEX-UHFFFAOYSA-N
XLogP5.55
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hexyl (2-phenylphenyl) carbonate
CID 67180373
4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139671734
hexyl (2-phenylphenyl) carbonate;plutonium;dicarbonate
CID 174935978
5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate
CID 171768668
12-(2-phenylphenoxy)dodecyl 3,5-bis(2-methylprop-2-enoyloxy)benzoate
CID 140687000
3-(2-phenylphenoxy)butyl 2-methylprop-2-enoate
CID 140787377
6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate
CID 90308739
(4-phenylphenyl) 6-(2-methylprop-2-enoyloxy)hexanoate
CID 171768260
(2,3-diphenylphenyl) 9-phenylnonyl carbonate
CID 151009525
2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate
CID 174745989
(2,6-diphenylphenyl) hexyl carbonate
CID 121296956
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylphenoxy)carbonyloxyhexyl 2-methylprop-2-enoate?
The IUPAC name of 6-(2-phenylphenoxy)carbonyloxyhexyl 2-methylprop-2-enoate (CID 171768489) is 6-(2-phenylphenoxy)carbonyloxyhexyl 2-methylprop-2-enoate.
What is the SMILES notation for 6-(2-phenylphenoxy)carbonyloxyhexyl 2-methylprop-2-enoate?
The canonical SMILES for 6-(2-phenylphenoxy)carbonyloxyhexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCOC(=O)Oc1ccccc1-c1ccccc1.
What is the InChIKey of 6-(2-phenylphenoxy)carbonyloxyhexyl 2-methylprop-2-enoate?
The InChIKey is GGSFFUSKBGXEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O5/c1-18(2)22(24)26-16-10-3-4-11-17-27-23(25)28-21-15-9-8-14-20(21)19-12-6-5-7-13-19/h5-9,12-15H,1,3-4,10-11,16-17H2,2H3.
What are the key properties of 6-(2-phenylphenoxy)carbonyloxyhexyl 2-methylprop-2-enoate?
6-(2-phenylphenoxy)carbonyloxyhexyl 2-methylprop-2-enoate has a molecular weight of 382.46 g/mol, XLogP of 5.55, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylphenoxy)carbonyloxyhexyl 2-methylprop-2-enoate is sourced from PubChem (CID 171768489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).