[4-(1-butoxyethoxy)phenyl]methyl prop-2-enoate

C16H22O4 — CID 19782944

IUPAC[4-(1-butoxyethoxy)phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(OC(C)OCCCC)cc1
InChIInChI=1S/C16H22O4/c1-4-6-11-18-13(3)20-15-9-7-14(8-10-15)12-19-16(17)5-2/h5,7-10,13H,2,4,6,11-12H2,1,3H3
InChIKeyJYECKSWERREQQZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.46
Rot. Bonds9

About [4-(1-butoxyethoxy)phenyl]methyl prop-2-enoate

[4-(1-butoxyethoxy)phenyl]methyl prop-2-enoate (PubChem CID 19782944) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is [4-(1-butoxyethoxy)phenyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[4-(1-butoxyethoxy)phenyl]methyl prop-2-enoate
PubChem CID19782944
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name[4-(1-butoxyethoxy)phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(OC(C)OCCCC)cc1
InChIInChI=1S/C16H22O4/c1-4-6-11-18-13(3)20-15-9-7-14(8-10-15)12-19-16(17)5-2/h5,7-10,13H,2,4,6,11-12H2,1,3H3
InChIKeyJYECKSWERREQQZ-UHFFFAOYSA-N
XLogP3.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-butoxyethyl 4-prop-2-enoyloxybenzoate
CID 150490967
1-(1-butoxyethoxy)-4-methylbenzene
CID 91451977
[4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate
CID 171722962
[4-[1-[4-(prop-2-enoyloxymethyl)phenyl]propyl]phenyl]methyl prop-2-enoate
CID 174980361
[4-[4-(prop-2-enoyloxymethyl)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethyl)benzoate
CID 20718187
bis[(4-butoxyphenyl)methyl] carbonate
CID 54373584
benzyl prop-2-enoate;(Z)-but-2-enedioic acid;hexyl prop-2-enoate
CID 70274050
4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 164930004
[4-[1-(2-methylpropoxy)ethoxy]phenyl]methyl 2-methylpropanoate
CID 157135527
[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methoxy]phenyl] 4-hexoxybenzoate
CID 59386488
[4-[4-(2-methylbutyl)phenyl]phenyl] 4-(prop-2-enoyloxymethyl)benzoate
CID 58309149
[4-[(4-hexoxyphenoxy)methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 59386505

Frequently Asked Questions

What is the IUPAC name of [4-(1-butoxyethoxy)phenyl]methyl prop-2-enoate?
The IUPAC name of [4-(1-butoxyethoxy)phenyl]methyl prop-2-enoate (CID 19782944) is [4-(1-butoxyethoxy)phenyl]methyl prop-2-enoate.
What is the SMILES notation for [4-(1-butoxyethoxy)phenyl]methyl prop-2-enoate?
The canonical SMILES for [4-(1-butoxyethoxy)phenyl]methyl prop-2-enoate is C=CC(=O)OCc1ccc(OC(C)OCCCC)cc1.
What is the InChIKey of [4-(1-butoxyethoxy)phenyl]methyl prop-2-enoate?
The InChIKey is JYECKSWERREQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-4-6-11-18-13(3)20-15-9-7-14(8-10-15)12-19-16(17)5-2/h5,7-10,13H,2,4,6,11-12H2,1,3H3.
What are the key properties of [4-(1-butoxyethoxy)phenyl]methyl prop-2-enoate?
[4-(1-butoxyethoxy)phenyl]methyl prop-2-enoate has a molecular weight of 278.35 g/mol, XLogP of 3.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-butoxyethoxy)phenyl]methyl prop-2-enoate is sourced from PubChem (CID 19782944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).