2-(4-phenoxyphenoxy)ethyl but-3-enoate

C18H18O4 — CID 54166268

IUPAC2-(4-phenoxyphenoxy)ethyl but-3-enoate
SMILESC=CCC(=O)OCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H18O4/c1-2-6-18(19)21-14-13-20-15-9-11-17(12-10-15)22-16-7-4-3-5-8-16/h2-5,7-12H,1,6,13-14H2
InChIKeyORVRDTHNJAGOSG-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.98
Rot. Bonds8

About 2-(4-phenoxyphenoxy)ethyl but-3-enoate

2-(4-phenoxyphenoxy)ethyl but-3-enoate (PubChem CID 54166268) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(4-phenoxyphenoxy)ethyl but-3-enoate.

Molecular Properties

Compound Name2-(4-phenoxyphenoxy)ethyl but-3-enoate
PubChem CID54166268
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name2-(4-phenoxyphenoxy)ethyl but-3-enoate
SMILESC=CCC(=O)OCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H18O4/c1-2-6-18(19)21-14-13-20-15-9-11-17(12-10-15)22-16-7-4-3-5-8-16/h2-5,7-12H,1,6,13-14H2
InChIKeyORVRDTHNJAGOSG-UHFFFAOYSA-N
XLogP3.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-penta-1,4-dien-2-yloxyethoxybenzene
CID 57219180
prop-2-enyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate
CID 67919517
2-phenoxyethyl 2-aminoacetate
CID 61302270
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308
benzyl but-3-enoate
CID 11019385
1-phenoxypent-4-en-2-one
CID 62716371
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
2-(4-phenoxyphenoxy)ethylcarbamothioic S-acid
CID 88759016
phenoxybenzene;prop-2-enoic acid
CID 66735010
2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833306
2-(4-phenylphenoxy)ethyl acetate
CID 101023594

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenoxy)ethyl but-3-enoate?
The IUPAC name of 2-(4-phenoxyphenoxy)ethyl but-3-enoate (CID 54166268) is 2-(4-phenoxyphenoxy)ethyl but-3-enoate.
What is the SMILES notation for 2-(4-phenoxyphenoxy)ethyl but-3-enoate?
The canonical SMILES for 2-(4-phenoxyphenoxy)ethyl but-3-enoate is C=CCC(=O)OCCOc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenoxyphenoxy)ethyl but-3-enoate?
The InChIKey is ORVRDTHNJAGOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-2-6-18(19)21-14-13-20-15-9-11-17(12-10-15)22-16-7-4-3-5-8-16/h2-5,7-12H,1,6,13-14H2.
What are the key properties of 2-(4-phenoxyphenoxy)ethyl but-3-enoate?
2-(4-phenoxyphenoxy)ethyl but-3-enoate has a molecular weight of 298.34 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenoxy)ethyl but-3-enoate is sourced from PubChem (CID 54166268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).