[4-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenyl] 3-hydroxypropanoate

C24H28O8 — CID 168764522

IUPAC[4-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenyl] 3-hydroxypropanoate
SMILESC=CC(=O)OCCOCCOCCOc1ccc(-c2ccc(OC(=O)CCO)cc2)cc1
InChIInChI=1S/C24H28O8/c1-2-23(26)31-18-16-29-14-13-28-15-17-30-21-7-3-19(4-8-21)20-5-9-22(10-6-20)32-24(27)11-12-25/h2-10,25H,1,11-18H2
InChIKeyXSUGXQHPDREODG-UHFFFAOYSA-N
MW444.48 g/mol
LogP2.78
Rot. Bonds15

About [4-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenyl] 3-hydroxypropanoate

[4-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenyl] 3-hydroxypropanoate (PubChem CID 168764522) has the molecular formula C24H28O8 and a molecular weight of 444.48 g/mol. Its IUPAC name is [4-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenyl] 3-hydroxypropanoate.

Molecular Properties

Compound Name[4-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenyl] 3-hydroxypropanoate
PubChem CID168764522
Molecular FormulaC24H28O8
Molecular Weight444.48 g/mol
Exact Mass444.18
IUPAC Name[4-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenyl] 3-hydroxypropanoate
SMILESC=CC(=O)OCCOCCOCCOc1ccc(-c2ccc(OC(=O)CCO)cc2)cc1
InChIInChI=1S/C24H28O8/c1-2-23(26)31-18-16-29-14-13-28-15-17-30-21-7-3-19(4-8-21)20-5-9-22(10-6-20)32-24(27)11-12-25/h2-10,25H,1,11-18H2
InChIKeyXSUGXQHPDREODG-UHFFFAOYSA-N
XLogP2.78
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylphenyl) 3-prop-2-enoyloxypropanoate
CID 171768556
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081
3-O-[4-(4-cyanophenyl)phenyl] 1-O-(2-prop-2-enoyloxyethyl) propanedioate
CID 175624912
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
2-(2-prop-2-enoyloxyethylamino)ethyl 4-[4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxyphenyl]benzoate
CID 163944613
2-(4-bromophenoxy)ethyl prop-2-enoate
CID 141115524
2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate
CID 15789891
[4-[4-(2-prop-2-enoyloxyethoxy)phenyl]phenyl]boronic acid
CID 162702389
[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 20789540
[4-(4-chlorophenyl)phenyl] 4-prop-2-enoyloxybutanoate
CID 166069257
[4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate
CID 144902457

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenyl] 3-hydroxypropanoate?
The IUPAC name of [4-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenyl] 3-hydroxypropanoate (CID 168764522) is [4-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenyl] 3-hydroxypropanoate.
What is the SMILES notation for [4-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenyl] 3-hydroxypropanoate?
The canonical SMILES for [4-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenyl] 3-hydroxypropanoate is C=CC(=O)OCCOCCOCCOc1ccc(-c2ccc(OC(=O)CCO)cc2)cc1.
What is the InChIKey of [4-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenyl] 3-hydroxypropanoate?
The InChIKey is XSUGXQHPDREODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O8/c1-2-23(26)31-18-16-29-14-13-28-15-17-30-21-7-3-19(4-8-21)20-5-9-22(10-6-20)32-24(27)11-12-25/h2-10,25H,1,11-18H2.
What are the key properties of [4-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenyl] 3-hydroxypropanoate?
[4-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenyl] 3-hydroxypropanoate has a molecular weight of 444.48 g/mol, XLogP of 2.78, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenyl] 3-hydroxypropanoate is sourced from PubChem (CID 168764522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).