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

C23H26O4 — CID 151922755

IUPAC2-[4-[[4-(2-prop-1-enoxyethoxy)phenyl]methyl]phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc(Cc2ccc(OCCOC=CC)cc2)cc1
InChIInChI=1S/C23H26O4/c1-3-14-25-16-17-26-22-11-9-21(10-12-22)18-20-7-5-19(6-8-20)13-15-27-23(24)4-2/h3-12,14H,2,13,15-18H2,1H3
InChIKeySXCJSFJMDHIWMB-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.48
Rot. Bonds11

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

2-[4-[[4-(2-prop-1-enoxyethoxy)phenyl]methyl]phenyl]ethyl prop-2-enoate (PubChem CID 151922755) has the molecular formula C23H26O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[4-[[4-(2-prop-1-enoxyethoxy)phenyl]methyl]phenyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-[[4-(2-prop-1-enoxyethoxy)phenyl]methyl]phenyl]ethyl prop-2-enoate
PubChem CID151922755
Molecular FormulaC23H26O4
Molecular Weight366.46 g/mol
Exact Mass366.18
IUPAC Name2-[4-[[4-(2-prop-1-enoxyethoxy)phenyl]methyl]phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc(Cc2ccc(OCCOC=CC)cc2)cc1
InChIInChI=1S/C23H26O4/c1-3-14-25-16-17-26-22-11-9-21(10-12-22)18-20-7-5-19(6-8-20)13-15-27-23(24)4-2/h3-12,14H,2,13,15-18H2,1H3
InChIKeySXCJSFJMDHIWMB-UHFFFAOYSA-N
XLogP4.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
CID 162101397
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
2-[4-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
CID 59642174
2-[4-[[4-(4-cyanophenyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
CID 59642173
3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate
CID 122548317
6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate
CID 91409634
2-[4-[(E)-2-[4-(4-butoxyphenyl)phenyl]ethenyl]phenyl]ethyl prop-2-enoate
CID 130373833
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
2-[2-[2-[2-[2-[2-[2-(4-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 100992588
2-(4-bromophenoxy)ethyl prop-2-enoate
CID 141115524
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081
2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane
CID 145475606

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-prop-1-enoxyethoxy)phenyl]methyl]phenyl]ethyl prop-2-enoate?
The IUPAC name of 2-[4-[[4-(2-prop-1-enoxyethoxy)phenyl]methyl]phenyl]ethyl prop-2-enoate (CID 151922755) is 2-[4-[[4-(2-prop-1-enoxyethoxy)phenyl]methyl]phenyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-[[4-(2-prop-1-enoxyethoxy)phenyl]methyl]phenyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-[[4-(2-prop-1-enoxyethoxy)phenyl]methyl]phenyl]ethyl prop-2-enoate is C=CC(=O)OCCc1ccc(Cc2ccc(OCCOC=CC)cc2)cc1.
What is the InChIKey of 2-[4-[[4-(2-prop-1-enoxyethoxy)phenyl]methyl]phenyl]ethyl prop-2-enoate?
The InChIKey is SXCJSFJMDHIWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O4/c1-3-14-25-16-17-26-22-11-9-21(10-12-22)18-20-7-5-19(6-8-20)13-15-27-23(24)4-2/h3-12,14H,2,13,15-18H2,1H3.
What are the key properties of 2-[4-[[4-(2-prop-1-enoxyethoxy)phenyl]methyl]phenyl]ethyl prop-2-enoate?
2-[4-[[4-(2-prop-1-enoxyethoxy)phenyl]methyl]phenyl]ethyl prop-2-enoate has a molecular weight of 366.46 g/mol, XLogP of 4.48, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-prop-1-enoxyethoxy)phenyl]methyl]phenyl]ethyl prop-2-enoate is sourced from PubChem (CID 151922755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).