ethyl 2-[4-phenylmethoxy-2,6-bis(prop-2-enyl)phenoxy]acetate

C23H26O4 — CID 69312280

IUPACethyl 2-[4-phenylmethoxy-2,6-bis(prop-2-enyl)phenoxy]acetate
SMILESC=CCc1cc(OCc2ccccc2)cc(CC=C)c1OCC(=O)OCC
InChIInChI=1S/C23H26O4/c1-4-10-19-14-21(26-16-18-12-8-7-9-13-18)15-20(11-5-2)23(19)27-17-22(24)25-6-3/h4-5,7-9,12-15H,1-2,6,10-11,16-17H2,3H3
InChIKeyUHVCMIIXDKDVPA-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.66
Rot. Bonds11

About ethyl 2-[4-phenylmethoxy-2,6-bis(prop-2-enyl)phenoxy]acetate

ethyl 2-[4-phenylmethoxy-2,6-bis(prop-2-enyl)phenoxy]acetate (PubChem CID 69312280) has the molecular formula C23H26O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is ethyl 2-[4-phenylmethoxy-2,6-bis(prop-2-enyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-phenylmethoxy-2,6-bis(prop-2-enyl)phenoxy]acetate
PubChem CID69312280
Molecular FormulaC23H26O4
Molecular Weight366.46 g/mol
Exact Mass366.18
IUPAC Nameethyl 2-[4-phenylmethoxy-2,6-bis(prop-2-enyl)phenoxy]acetate
SMILESC=CCc1cc(OCc2ccccc2)cc(CC=C)c1OCC(=O)OCC
InChIInChI=1S/C23H26O4/c1-4-10-19-14-21(26-16-18-12-8-7-9-13-18)15-20(11-5-2)23(19)27-17-22(24)25-6-3/h4-5,7-9,12-15H,1-2,6,10-11,16-17H2,3H3
InChIKeyUHVCMIIXDKDVPA-UHFFFAOYSA-N
XLogP4.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylprop-2-enoxy)-4-phenylmethoxy-2-prop-2-enylbenzene
CID 175152033
ethyl 2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetate
CID 141184311
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
ethyl 2-(2-cyano-5-phenylmethoxyphenoxy)acetate
CID 54227701
ethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate
CID 86073966
4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 22261130
ethyl 11-(4-phenylmethoxyphenoxy)undecanoate
CID 21259961
ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate
CID 178032262
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-[3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]acetate
CID 24771790
ethyl 3-[2,4-bis(phenylmethoxy)phenyl]butanoate
CID 138513593
ethyl 4-(3-phenylmethoxyphenyl)but-3-enoate
CID 170797112

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-phenylmethoxy-2,6-bis(prop-2-enyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-phenylmethoxy-2,6-bis(prop-2-enyl)phenoxy]acetate (CID 69312280) is ethyl 2-[4-phenylmethoxy-2,6-bis(prop-2-enyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-phenylmethoxy-2,6-bis(prop-2-enyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-phenylmethoxy-2,6-bis(prop-2-enyl)phenoxy]acetate is C=CCc1cc(OCc2ccccc2)cc(CC=C)c1OCC(=O)OCC.
What is the InChIKey of ethyl 2-[4-phenylmethoxy-2,6-bis(prop-2-enyl)phenoxy]acetate?
The InChIKey is UHVCMIIXDKDVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O4/c1-4-10-19-14-21(26-16-18-12-8-7-9-13-18)15-20(11-5-2)23(19)27-17-22(24)25-6-3/h4-5,7-9,12-15H,1-2,6,10-11,16-17H2,3H3.
What are the key properties of ethyl 2-[4-phenylmethoxy-2,6-bis(prop-2-enyl)phenoxy]acetate?
ethyl 2-[4-phenylmethoxy-2,6-bis(prop-2-enyl)phenoxy]acetate has a molecular weight of 366.46 g/mol, XLogP of 4.66, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-phenylmethoxy-2,6-bis(prop-2-enyl)phenoxy]acetate is sourced from PubChem (CID 69312280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).