(4-prop-2-enoyloxyphenyl) (E)-3-(4-hexoxyphenyl)prop-2-enoate

C24H26O5 — CID 59668527

IUPAC(4-prop-2-enoyloxyphenyl) (E)-3-(4-hexoxyphenyl)prop-2-enoate
SMILESC=CC(=O)Oc1ccc(OC(=O)/C=C/c2ccc(OCCCCCC)cc2)cc1
InChIInChI=1S/C24H26O5/c1-3-5-6-7-18-27-20-11-8-19(9-12-20)10-17-24(26)29-22-15-13-21(14-16-22)28-23(25)4-2/h4,8-17H,2-3,5-7,18H2,1H3/b17-10+
InChIKeyYBTAWPVXYVLJTG-LICLKQGHSA-N
MW394.47 g/mol
LogP5.36
Rot. Bonds11

About (4-prop-2-enoyloxyphenyl) (E)-3-(4-hexoxyphenyl)prop-2-enoate

(4-prop-2-enoyloxyphenyl) (E)-3-(4-hexoxyphenyl)prop-2-enoate (PubChem CID 59668527) has the molecular formula C24H26O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is (4-prop-2-enoyloxyphenyl) (E)-3-(4-hexoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-prop-2-enoyloxyphenyl) (E)-3-(4-hexoxyphenyl)prop-2-enoate
PubChem CID59668527
Molecular FormulaC24H26O5
Molecular Weight394.47 g/mol
Exact Mass394.18
IUPAC Name(4-prop-2-enoyloxyphenyl) (E)-3-(4-hexoxyphenyl)prop-2-enoate
SMILESC=CC(=O)Oc1ccc(OC(=O)/C=C/c2ccc(OCCCCCC)cc2)cc1
InChIInChI=1S/C24H26O5/c1-3-5-6-7-18-27-20-11-8-19(9-12-20)10-17-24(26)29-22-15-13-21(14-16-22)28-23(25)4-2/h4,8-17H,2-3,5-7,18H2,1H3/b17-10+
InChIKeyYBTAWPVXYVLJTG-LICLKQGHSA-N
XLogP5.36
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-butoxyphenyl) 3-(4-pentoxyphenyl)prop-2-enoate
CID 91291919
(4-hexadecoxyphenyl) prop-2-enoate
CID 141237346
(4-hexoxyphenyl) prop-2-enoate
CID 71357716
(6-pentoxynaphthalen-2-yl) 3-(4-octoxyphenyl)prop-2-enoate
CID 91155097
(4-acetylphenyl) (E)-3-(4-heptoxyphenyl)prop-2-enoate
CID 43833921
[4-[(E)-3-(4-heptoxyphenyl)prop-2-enoyl]phenyl] (E)-3-(4-octadecoxyphenyl)prop-2-enoate
CID 132513116
[4-(4-octadecoxyphenyl)phenyl] prop-2-enoate
CID 122382243
[4-[3-[4-[(E)-3-(4-octoxyphenyl)prop-2-enoyl]oxyphenyl]-3-oxopropanoyl]phenyl] (E)-3-(4-octoxyphenyl)prop-2-enoate
CID 139908369
undecyl 4-[3-(4-butoxyphenoxy)-3-oxoprop-1-enyl]benzoate
CID 91550878
heptyl 4-[(E)-3-(4-hexoxyphenoxy)-3-oxoprop-1-enyl]benzoate
CID 173161697
methyl 3-(4-hexoxyphenyl)prop-2-enoate
CID 54420743
bis(4-hexoxyphenyl) (E)-but-2-enedioate
CID 21029008

Frequently Asked Questions

What is the IUPAC name of (4-prop-2-enoyloxyphenyl) (E)-3-(4-hexoxyphenyl)prop-2-enoate?
The IUPAC name of (4-prop-2-enoyloxyphenyl) (E)-3-(4-hexoxyphenyl)prop-2-enoate (CID 59668527) is (4-prop-2-enoyloxyphenyl) (E)-3-(4-hexoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-prop-2-enoyloxyphenyl) (E)-3-(4-hexoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-prop-2-enoyloxyphenyl) (E)-3-(4-hexoxyphenyl)prop-2-enoate is C=CC(=O)Oc1ccc(OC(=O)/C=C/c2ccc(OCCCCCC)cc2)cc1.
What is the InChIKey of (4-prop-2-enoyloxyphenyl) (E)-3-(4-hexoxyphenyl)prop-2-enoate?
The InChIKey is YBTAWPVXYVLJTG-LICLKQGHSA-N. The full InChI is InChI=1S/C24H26O5/c1-3-5-6-7-18-27-20-11-8-19(9-12-20)10-17-24(26)29-22-15-13-21(14-16-22)28-23(25)4-2/h4,8-17H,2-3,5-7,18H2,1H3/b17-10+.
What are the key properties of (4-prop-2-enoyloxyphenyl) (E)-3-(4-hexoxyphenyl)prop-2-enoate?
(4-prop-2-enoyloxyphenyl) (E)-3-(4-hexoxyphenyl)prop-2-enoate has a molecular weight of 394.47 g/mol, XLogP of 5.36, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enoyloxyphenyl) (E)-3-(4-hexoxyphenyl)prop-2-enoate is sourced from PubChem (CID 59668527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).