[1-ethoxy-3-(4-phenoxyphenoxy)propan-2-yl] 2-methylprop-2-enoate

C21H24O5 — CID 142355306

IUPAC[1-ethoxy-3-(4-phenoxyphenoxy)propan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(COCC)COc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H24O5/c1-4-23-14-20(26-21(22)16(2)3)15-24-17-10-12-19(13-11-17)25-18-8-6-5-7-9-18/h5-13,20H,2,4,14-15H2,1,3H3
InChIKeyKDVRZASEFGFKDA-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.38
Rot. Bonds10

About [1-ethoxy-3-(4-phenoxyphenoxy)propan-2-yl] 2-methylprop-2-enoate

[1-ethoxy-3-(4-phenoxyphenoxy)propan-2-yl] 2-methylprop-2-enoate (PubChem CID 142355306) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is [1-ethoxy-3-(4-phenoxyphenoxy)propan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-ethoxy-3-(4-phenoxyphenoxy)propan-2-yl] 2-methylprop-2-enoate
PubChem CID142355306
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Name[1-ethoxy-3-(4-phenoxyphenoxy)propan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(COCC)COc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H24O5/c1-4-23-14-20(26-21(22)16(2)3)15-24-17-10-12-19(13-11-17)25-18-8-6-5-7-9-18/h5-13,20H,2,4,14-15H2,1,3H3
InChIKeyKDVRZASEFGFKDA-UHFFFAOYSA-N
XLogP4.38
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(4-ethylphenoxy)propan-2-yl 2-methylprop-2-enoate
CID 134322416
1,3-bis(4-propylphenoxy)propan-2-yl 2-methylprop-2-enoate
CID 134322515
[1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-ethoxypropan-2-yl] 2-methylprop-2-enoate
CID 142563865
[1-[3-[2-(2-methylprop-2-enoyloxy)-3-(3-phenylphenoxy)propoxy]phenoxy]-3-(3-phenylphenoxy)propan-2-yl] 2-methylprop-2-enoate
CID 23111057
[1-[4-[2-(2-methylprop-2-enoyloxy)-3-naphthalen-1-yloxypropoxy]phenoxy]-3-naphthalen-1-yloxypropan-2-yl] 2-methylprop-2-enoate
CID 68949380
[3-[2-(2-methylprop-2-enoyloxy)-3-phenoxypropoxy]phenyl]methyl 2-methylprop-2-enoate
CID 118333770
(1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate
CID 21390095
(1-hydroxy-3-phenoxypropan-2-yl) 2-methylprop-2-enoate;(2-hydroxy-3-phenoxypropyl) 2-methylprop-2-enoate
CID 160914554
ethoxybenzene;ethyl 2-methylprop-2-enoate
CID 175299667
8-phenoxyoctan-3-yl 2-methylprop-2-enoate
CID 175400272
1-(4-benzoyl-3-hydroxyphenoxy)butan-2-yl 2-methylprop-2-enoate
CID 23434433
(1-ethoxy-3-phenoxypropan-2-yl) 4-prop-2-enoyloxybutanoate
CID 159802316

Frequently Asked Questions

What is the IUPAC name of [1-ethoxy-3-(4-phenoxyphenoxy)propan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [1-ethoxy-3-(4-phenoxyphenoxy)propan-2-yl] 2-methylprop-2-enoate (CID 142355306) is [1-ethoxy-3-(4-phenoxyphenoxy)propan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-ethoxy-3-(4-phenoxyphenoxy)propan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [1-ethoxy-3-(4-phenoxyphenoxy)propan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(COCC)COc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [1-ethoxy-3-(4-phenoxyphenoxy)propan-2-yl] 2-methylprop-2-enoate?
The InChIKey is KDVRZASEFGFKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O5/c1-4-23-14-20(26-21(22)16(2)3)15-24-17-10-12-19(13-11-17)25-18-8-6-5-7-9-18/h5-13,20H,2,4,14-15H2,1,3H3.
What are the key properties of [1-ethoxy-3-(4-phenoxyphenoxy)propan-2-yl] 2-methylprop-2-enoate?
[1-ethoxy-3-(4-phenoxyphenoxy)propan-2-yl] 2-methylprop-2-enoate has a molecular weight of 356.42 g/mol, XLogP of 4.38, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethoxy-3-(4-phenoxyphenoxy)propan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 142355306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).