(4-methoxyphenyl) (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate

C23H28O5 — CID 19184908

IUPAC(4-methoxyphenyl) (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
SMILESCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(OC)cc2)cc1OC
InChIInChI=1S/C23H28O5/c1-4-5-6-7-16-27-21-14-8-18(17-22(21)26-3)9-15-23(24)28-20-12-10-19(25-2)11-13-20/h8-15,17H,4-7,16H2,1-3H3/b15-9+
InChIKeyHSPMNIMRBNUJJG-OQLLNIDSSA-N
MW384.47 g/mol
LogP5.28
Rot. Bonds11

About (4-methoxyphenyl) (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate

(4-methoxyphenyl) (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate (PubChem CID 19184908) has the molecular formula C23H28O5 and a molecular weight of 384.47 g/mol. Its IUPAC name is (4-methoxyphenyl) (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-methoxyphenyl) (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
PubChem CID19184908
Molecular FormulaC23H28O5
Molecular Weight384.47 g/mol
Exact Mass384.19
IUPAC Name(4-methoxyphenyl) (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
SMILESCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(OC)cc2)cc1OC
InChIInChI=1S/C23H28O5/c1-4-5-6-7-16-27-21-14-8-18(17-22(21)26-3)9-15-23(24)28-20-12-10-19(25-2)11-13-20/h8-15,17H,4-7,16H2,1-3H3/b15-9+
InChIKeyHSPMNIMRBNUJJG-OQLLNIDSSA-N
XLogP5.28
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.47
LogP ≤ 55.28
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-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 91554965
ethyl 3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 131846335
6-chlorohexyl (E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoate
CID 86594318
(4-tert-butylphenyl) (E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoate
CID 19173379
(4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
CID 732910
(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl chloride
CID 21322652
[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 19184916
nonyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 164675970
hexyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 142627715
dodecyl 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 71347266
[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] (E)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoate
CID 19170382
pentyl (E)-3-(4-methoxy-3-pentoxyphenyl)prop-2-enoate
CID 19363451

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate?
The IUPAC name of (4-methoxyphenyl) (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate (CID 19184908) is (4-methoxyphenyl) (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-methoxyphenyl) (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-methoxyphenyl) (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate is CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(OC)cc2)cc1OC.
What is the InChIKey of (4-methoxyphenyl) (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate?
The InChIKey is HSPMNIMRBNUJJG-OQLLNIDSSA-N. The full InChI is InChI=1S/C23H28O5/c1-4-5-6-7-16-27-21-14-8-18(17-22(21)26-3)9-15-23(24)28-20-12-10-19(25-2)11-13-20/h8-15,17H,4-7,16H2,1-3H3/b15-9+.
What are the key properties of (4-methoxyphenyl) (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate?
(4-methoxyphenyl) (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate has a molecular weight of 384.47 g/mol, XLogP of 5.28, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 19184908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).