ethyl 3-[4-(2-methoxyethoxy)-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoate

C19H26O6 — CID 91354224

IUPACethyl 3-[4-(2-methoxyethoxy)-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(OCCOC)cc1OCC1CCCO1
InChIInChI=1S/C19H26O6/c1-3-22-19(20)9-7-15-6-8-16(24-12-11-21-2)13-18(15)25-14-17-5-4-10-23-17/h6-9,13,17H,3-5,10-12,14H2,1-2H3
InChIKeySANBVHAQTRBFAR-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.85
Rot. Bonds10

About ethyl 3-[4-(2-methoxyethoxy)-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoate

ethyl 3-[4-(2-methoxyethoxy)-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoate (PubChem CID 91354224) has the molecular formula C19H26O6 and a molecular weight of 350.41 g/mol. Its IUPAC name is ethyl 3-[4-(2-methoxyethoxy)-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[4-(2-methoxyethoxy)-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoate
PubChem CID91354224
Molecular FormulaC19H26O6
Molecular Weight350.41 g/mol
Exact Mass350.17
IUPAC Nameethyl 3-[4-(2-methoxyethoxy)-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(OCCOC)cc1OCC1CCCO1
InChIInChI=1S/C19H26O6/c1-3-22-19(20)9-7-15-6-8-16(24-12-11-21-2)13-18(15)25-14-17-5-4-10-23-17/h6-9,13,17H,3-5,10-12,14H2,1-2H3
InChIKeySANBVHAQTRBFAR-UHFFFAOYSA-N
XLogP2.85
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

3-[4-(2-methoxyethoxy)-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 68550789
ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 70021024
ethyl (E)-3-[4-ethoxy-2-[(1R)-1-(oxiran-2-ylmethoxy)ethyl]phenyl]prop-2-enoate
CID 89046318
ethyl (E)-3-[4-(2-methoxyethoxy)-2-nitrophenyl]prop-2-enoate
CID 86617663
(E)-3-[5-methyl-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 55200916
ethyl (E)-4-oxo-4-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioylamino]but-2-enoate
CID 17142002
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
2-ethoxy-6-[[(2S)-oxolan-2-yl]methoxy]quinazoline
CID 91462378
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850850
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
2-methyl-4-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 107671293
4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17112691

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(2-methoxyethoxy)-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[4-(2-methoxyethoxy)-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoate (CID 91354224) is ethyl 3-[4-(2-methoxyethoxy)-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[4-(2-methoxyethoxy)-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[4-(2-methoxyethoxy)-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoate is CCOC(=O)C=Cc1ccc(OCCOC)cc1OCC1CCCO1.
What is the InChIKey of ethyl 3-[4-(2-methoxyethoxy)-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoate?
The InChIKey is SANBVHAQTRBFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O6/c1-3-22-19(20)9-7-15-6-8-16(24-12-11-21-2)13-18(15)25-14-17-5-4-10-23-17/h6-9,13,17H,3-5,10-12,14H2,1-2H3.
What are the key properties of ethyl 3-[4-(2-methoxyethoxy)-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoate?
ethyl 3-[4-(2-methoxyethoxy)-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoate has a molecular weight of 350.41 g/mol, XLogP of 2.85, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(2-methoxyethoxy)-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 91354224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).