[3-(2,6-dimethoxyphenyl)phenyl] propanoate

C17H18O4 — CID 142465207

IUPAC[3-(2,6-dimethoxyphenyl)phenyl] propanoate
SMILESCCC(=O)Oc1cccc(-c2c(OC)cccc2OC)c1
InChIInChI=1S/C17H18O4/c1-4-16(18)21-13-8-5-7-12(11-13)17-14(19-2)9-6-10-15(17)20-3/h5-11H,4H2,1-3H3
InChIKeyVIWDRAVZZGPLLJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.69
Rot. Bonds5

About [3-(2,6-dimethoxyphenyl)phenyl] propanoate

[3-(2,6-dimethoxyphenyl)phenyl] propanoate (PubChem CID 142465207) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is [3-(2,6-dimethoxyphenyl)phenyl] propanoate.

Molecular Properties

Compound Name[3-(2,6-dimethoxyphenyl)phenyl] propanoate
PubChem CID142465207
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name[3-(2,6-dimethoxyphenyl)phenyl] propanoate
SMILESCCC(=O)Oc1cccc(-c2c(OC)cccc2OC)c1
InChIInChI=1S/C17H18O4/c1-4-16(18)21-13-8-5-7-12(11-13)17-14(19-2)9-6-10-15(17)20-3/h5-11H,4H2,1-3H3
InChIKeyVIWDRAVZZGPLLJ-UHFFFAOYSA-N
XLogP3.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(2,3-dimethoxyphenyl)phenyl] propanoate
CID 142465184
2-[3-(2,6-dimethoxyphenyl)phenoxy]propanamide
CID 56702109
3-methoxy-2-(3-methoxyphenyl)benzoic acid
CID 19594928
[3-[4-methoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]phenyl] propanoate
CID 139993960
(2-chloro-6-methoxyphenyl) propanoate
CID 67392608
phenyl propanoate
CID 161258381
[3-(aminomethyl)phenyl] propanoate
CID 174426533
[3-[2-(dimethylamino)phenoxy]phenyl] propanoate
CID 19421801
(3-phosphonooxyphenyl) propanoate
CID 174701500
[3-(methanesulfonamido)phenyl] propanoate
CID 154228160
(3-chloro-4,5-dimethoxyphenyl) propanoate
CID 130431285
3-(2,6-dimethoxyphenyl)benzenesulfonic acid
CID 87742445

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethoxyphenyl)phenyl] propanoate?
The IUPAC name of [3-(2,6-dimethoxyphenyl)phenyl] propanoate (CID 142465207) is [3-(2,6-dimethoxyphenyl)phenyl] propanoate.
What is the SMILES notation for [3-(2,6-dimethoxyphenyl)phenyl] propanoate?
The canonical SMILES for [3-(2,6-dimethoxyphenyl)phenyl] propanoate is CCC(=O)Oc1cccc(-c2c(OC)cccc2OC)c1.
What is the InChIKey of [3-(2,6-dimethoxyphenyl)phenyl] propanoate?
The InChIKey is VIWDRAVZZGPLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-4-16(18)21-13-8-5-7-12(11-13)17-14(19-2)9-6-10-15(17)20-3/h5-11H,4H2,1-3H3.
What are the key properties of [3-(2,6-dimethoxyphenyl)phenyl] propanoate?
[3-(2,6-dimethoxyphenyl)phenyl] propanoate has a molecular weight of 286.33 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethoxyphenyl)phenyl] propanoate is sourced from PubChem (CID 142465207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).