[2-[3-(2,4-dimethoxyphenyl)-1-hydroxyprop-2-enyl]-5-methoxyphenyl] dodecanoate

C30H42O6 — CID 139828632

IUPAC[2-[3-(2,4-dimethoxyphenyl)-1-hydroxyprop-2-enyl]-5-methoxyphenyl] dodecanoate
SMILESCCCCCCCCCCCC(=O)Oc1cc(OC)ccc1C(O)C=Cc1ccc(OC)cc1OC
InChIInChI=1S/C30H42O6/c1-5-6-7-8-9-10-11-12-13-14-30(32)36-29-22-25(34-3)18-19-26(29)27(31)20-16-23-15-17-24(33-2)21-28(23)35-4/h15-22,27,31H,5-14H2,1-4H3
InChIKeyDPPNURVWKWLUBM-UHFFFAOYSA-N
MW498.66 g/mol
LogP7.29
Rot. Bonds17

About [2-[3-(2,4-dimethoxyphenyl)-1-hydroxyprop-2-enyl]-5-methoxyphenyl] dodecanoate

[2-[3-(2,4-dimethoxyphenyl)-1-hydroxyprop-2-enyl]-5-methoxyphenyl] dodecanoate (PubChem CID 139828632) has the molecular formula C30H42O6 and a molecular weight of 498.66 g/mol. Its IUPAC name is [2-[3-(2,4-dimethoxyphenyl)-1-hydroxyprop-2-enyl]-5-methoxyphenyl] dodecanoate.

Molecular Properties

Compound Name[2-[3-(2,4-dimethoxyphenyl)-1-hydroxyprop-2-enyl]-5-methoxyphenyl] dodecanoate
PubChem CID139828632
Molecular FormulaC30H42O6
Molecular Weight498.66 g/mol
Exact Mass498.30
IUPAC Name[2-[3-(2,4-dimethoxyphenyl)-1-hydroxyprop-2-enyl]-5-methoxyphenyl] dodecanoate
SMILESCCCCCCCCCCCC(=O)Oc1cc(OC)ccc1C(O)C=Cc1ccc(OC)cc1OC
InChIInChI=1S/C30H42O6/c1-5-6-7-8-9-10-11-12-13-14-30(32)36-29-22-25(34-3)18-19-26(29)27(31)20-16-23-15-17-24(33-2)21-28(23)35-4/h15-22,27,31H,5-14H2,1-4H3
InChIKeyDPPNURVWKWLUBM-UHFFFAOYSA-N
XLogP7.29
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.66
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[3-(2,4-dimethoxyphenyl)-1-hydroxyprop-2-enyl]-5-methoxyphenyl] dodecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[3-(2,4-diacetyloxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] dodecanoate
CID 139828424
[3-acetyloxy-4-[3-(2,4-dihydroxyphenyl)-1-hydroxyprop-2-enyl]phenyl] dodecanoate
CID 139828283
[4-[3-[2,4-bis(phenylmethoxy)phenyl]-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] dodecanoate
CID 139828645
(4-methoxy-2-nonanoyloxyphenyl) nonanoate
CID 140675759
[3-dodecanoyloxy-4-[3-hydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)prop-1-enyl]phenyl] dodecanoate
CID 139828437
(2,4-dimethoxyphenyl) pentanoate
CID 91361677
3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol
CID 139828173
[4-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] acetate
CID 139828284
(7-methoxynaphthalen-2-yl) hexanoate
CID 60592520
[3-dodecanoyloxy-4-[3-(4-methoxy-2-phenylmethoxyphenyl)-3-oxoprop-1-enyl]phenyl] dodecanoate
CID 139826514
(2-methoxyphenyl) octanoate
CID 68908014
(2-methoxyphenyl) dodecanoate
CID 139927041

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2,4-dimethoxyphenyl)-1-hydroxyprop-2-enyl]-5-methoxyphenyl] dodecanoate?
The IUPAC name of [2-[3-(2,4-dimethoxyphenyl)-1-hydroxyprop-2-enyl]-5-methoxyphenyl] dodecanoate (CID 139828632) is [2-[3-(2,4-dimethoxyphenyl)-1-hydroxyprop-2-enyl]-5-methoxyphenyl] dodecanoate.
What is the SMILES notation for [2-[3-(2,4-dimethoxyphenyl)-1-hydroxyprop-2-enyl]-5-methoxyphenyl] dodecanoate?
The canonical SMILES for [2-[3-(2,4-dimethoxyphenyl)-1-hydroxyprop-2-enyl]-5-methoxyphenyl] dodecanoate is CCCCCCCCCCCC(=O)Oc1cc(OC)ccc1C(O)C=Cc1ccc(OC)cc1OC.
What is the InChIKey of [2-[3-(2,4-dimethoxyphenyl)-1-hydroxyprop-2-enyl]-5-methoxyphenyl] dodecanoate?
The InChIKey is DPPNURVWKWLUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O6/c1-5-6-7-8-9-10-11-12-13-14-30(32)36-29-22-25(34-3)18-19-26(29)27(31)20-16-23-15-17-24(33-2)21-28(23)35-4/h15-22,27,31H,5-14H2,1-4H3.
What are the key properties of [2-[3-(2,4-dimethoxyphenyl)-1-hydroxyprop-2-enyl]-5-methoxyphenyl] dodecanoate?
[2-[3-(2,4-dimethoxyphenyl)-1-hydroxyprop-2-enyl]-5-methoxyphenyl] dodecanoate has a molecular weight of 498.66 g/mol, XLogP of 7.29, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2,4-dimethoxyphenyl)-1-hydroxyprop-2-enyl]-5-methoxyphenyl] dodecanoate is sourced from PubChem (CID 139828632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).