(E)-3-(4-ethoxyphenyl)-2-[4-(3-prop-2-enoyloxypropoxy)phenyl]prop-2-enoic acid

C23H24O6 — CID 118274623

IUPAC(E)-3-(4-ethoxyphenyl)-2-[4-(3-prop-2-enoyloxypropoxy)phenyl]prop-2-enoic acid
SMILESC=CC(=O)OCCCOc1ccc(/C(=C\c2ccc(OCC)cc2)C(=O)O)cc1
InChIInChI=1S/C23H24O6/c1-3-22(24)29-15-5-14-28-20-12-8-18(9-13-20)21(23(25)26)16-17-6-10-19(11-7-17)27-4-2/h3,6-13,16H,1,4-5,14-15H2,2H3,(H,25,26)/b21-16+
InChIKeyJGOXBRXPCUBGCM-LTGZKZEYSA-N
MW396.44 g/mol
LogP4.21
Rot. Bonds11

About (E)-3-(4-ethoxyphenyl)-2-[4-(3-prop-2-enoyloxypropoxy)phenyl]prop-2-enoic acid

(E)-3-(4-ethoxyphenyl)-2-[4-(3-prop-2-enoyloxypropoxy)phenyl]prop-2-enoic acid (PubChem CID 118274623) has the molecular formula C23H24O6 and a molecular weight of 396.44 g/mol. Its IUPAC name is (E)-3-(4-ethoxyphenyl)-2-[4-(3-prop-2-enoyloxypropoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(4-ethoxyphenyl)-2-[4-(3-prop-2-enoyloxypropoxy)phenyl]prop-2-enoic acid
PubChem CID118274623
Molecular FormulaC23H24O6
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Name(E)-3-(4-ethoxyphenyl)-2-[4-(3-prop-2-enoyloxypropoxy)phenyl]prop-2-enoic acid
SMILESC=CC(=O)OCCCOc1ccc(/C(=C\c2ccc(OCC)cc2)C(=O)O)cc1
InChIInChI=1S/C23H24O6/c1-3-22(24)29-15-5-14-28-20-12-8-18(9-13-20)21(23(25)26)16-17-6-10-19(11-7-17)27-4-2/h3,6-13,16H,1,4-5,14-15H2,2H3,(H,25,26)/b21-16+
InChIKeyJGOXBRXPCUBGCM-LTGZKZEYSA-N
XLogP4.21
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
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': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[2-methyl-4-(6-prop-2-enoyloxyhexoxy)phenyl]-3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoic acid
CID 69491799
(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83950433
2-(4-aminophenyl)-3-(4-propoxyphenyl)prop-2-enoic acid
CID 54537556
2-(4-aminophenyl)-3-(4-hexoxyphenyl)prop-2-enoic acid
CID 54230127
6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 134454514
4-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 18942550
(E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid
CID 118274610
(Z)-2-isocyano-3-[4-(4-prop-2-enoyloxybutoxy)phenyl]prop-2-enoic acid
CID 58444443
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
(E)-3-[4-(4-prop-2-enoyloxybutoxy)phenyl]prop-2-enoic acid
CID 11208514
6-(4-formylphenoxy)hexyl prop-2-enoate;methanol
CID 145059918
2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate
CID 167210341

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxyphenyl)-2-[4-(3-prop-2-enoyloxypropoxy)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-(4-ethoxyphenyl)-2-[4-(3-prop-2-enoyloxypropoxy)phenyl]prop-2-enoic acid (CID 118274623) is (E)-3-(4-ethoxyphenyl)-2-[4-(3-prop-2-enoyloxypropoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-(4-ethoxyphenyl)-2-[4-(3-prop-2-enoyloxypropoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-(4-ethoxyphenyl)-2-[4-(3-prop-2-enoyloxypropoxy)phenyl]prop-2-enoic acid is C=CC(=O)OCCCOc1ccc(/C(=C\c2ccc(OCC)cc2)C(=O)O)cc1.
What is the InChIKey of (E)-3-(4-ethoxyphenyl)-2-[4-(3-prop-2-enoyloxypropoxy)phenyl]prop-2-enoic acid?
The InChIKey is JGOXBRXPCUBGCM-LTGZKZEYSA-N. The full InChI is InChI=1S/C23H24O6/c1-3-22(24)29-15-5-14-28-20-12-8-18(9-13-20)21(23(25)26)16-17-6-10-19(11-7-17)27-4-2/h3,6-13,16H,1,4-5,14-15H2,2H3,(H,25,26)/b21-16+.
What are the key properties of (E)-3-(4-ethoxyphenyl)-2-[4-(3-prop-2-enoyloxypropoxy)phenyl]prop-2-enoic acid?
(E)-3-(4-ethoxyphenyl)-2-[4-(3-prop-2-enoyloxypropoxy)phenyl]prop-2-enoic acid has a molecular weight of 396.44 g/mol, XLogP of 4.21, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxyphenyl)-2-[4-(3-prop-2-enoyloxypropoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 118274623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).