2-[4-[4-(2-methylbutoxy)phenyl]phenoxy]ethyl prop-2-enoate

C22H26O4 — CID 20566726

IUPAC2-[4-[4-(2-methylbutoxy)phenyl]phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(-c2ccc(OCC(C)CC)cc2)cc1
InChIInChI=1S/C22H26O4/c1-4-17(3)16-26-21-12-8-19(9-13-21)18-6-10-20(11-7-18)24-14-15-25-22(23)5-2/h5-13,17H,2,4,14-16H2,1,3H3
InChIKeyLILAECODUHANCA-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.89
Rot. Bonds10

About 2-[4-[4-(2-methylbutoxy)phenyl]phenoxy]ethyl prop-2-enoate

2-[4-[4-(2-methylbutoxy)phenyl]phenoxy]ethyl prop-2-enoate (PubChem CID 20566726) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[4-[4-(2-methylbutoxy)phenyl]phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-[4-(2-methylbutoxy)phenyl]phenoxy]ethyl prop-2-enoate
PubChem CID20566726
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Name2-[4-[4-(2-methylbutoxy)phenyl]phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(-c2ccc(OCC(C)CC)cc2)cc1
InChIInChI=1S/C22H26O4/c1-4-17(3)16-26-21-12-8-19(9-13-21)18-6-10-20(11-7-18)24-14-15-25-22(23)5-2/h5-13,17H,2,4,14-16H2,1,3H3
InChIKeyLILAECODUHANCA-UHFFFAOYSA-N
XLogP4.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate
CID 15789891
[4-[4-(2-prop-2-enoyloxyethoxy)phenyl]phenyl]boronic acid
CID 162702389
[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylbutanoate
CID 22976556
11-[4-[4-(2-methylbutoxy)phenyl]phenoxy]undecyl 2-methylprop-2-enoate
CID 101004555
[4-[4-[(2S)-2-methylbutoxy]phenyl]phenyl] 4-hex-5-enoxybenzoate
CID 175207098
(4-non-8-enoxyphenyl) 4-[4-(2-methylbutoxy)phenyl]benzoate
CID 67948267
[4-[4-(2-methylbutoxy)phenyl]phenyl] 4-dec-9-enoxybenzoate
CID 67948265
6-[4-[4-(4-prop-2-enoyloxyhexoxy)phenyl]phenoxy]hexan-3-yl prop-2-enoate
CID 90003140
2-[4-(4-nitrophenyl)phenoxy]ethyl prop-2-enoate
CID 139922179

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-methylbutoxy)phenyl]phenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[4-[4-(2-methylbutoxy)phenyl]phenoxy]ethyl prop-2-enoate (CID 20566726) is 2-[4-[4-(2-methylbutoxy)phenyl]phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-[4-(2-methylbutoxy)phenyl]phenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-[4-(2-methylbutoxy)phenyl]phenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1ccc(-c2ccc(OCC(C)CC)cc2)cc1.
What is the InChIKey of 2-[4-[4-(2-methylbutoxy)phenyl]phenoxy]ethyl prop-2-enoate?
The InChIKey is LILAECODUHANCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O4/c1-4-17(3)16-26-21-12-8-19(9-13-21)18-6-10-20(11-7-18)24-14-15-25-22(23)5-2/h5-13,17H,2,4,14-16H2,1,3H3.
What are the key properties of 2-[4-[4-(2-methylbutoxy)phenyl]phenoxy]ethyl prop-2-enoate?
2-[4-[4-(2-methylbutoxy)phenyl]phenoxy]ethyl prop-2-enoate has a molecular weight of 354.45 g/mol, XLogP of 4.89, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-methylbutoxy)phenyl]phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 20566726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).