(2,4-dimethoxyphenyl) pentanoate

C13H18O4 — CID 91361677

IUPAC(2,4-dimethoxyphenyl) pentanoate
SMILESCCCCC(=O)Oc1ccc(OC)cc1OC
InChIInChI=1S/C13H18O4/c1-4-5-6-13(14)17-11-8-7-10(15-2)9-12(11)16-3/h7-9H,4-6H2,1-3H3
InChIKeyVNRUIQVEJMZNOJ-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.80
Rot. Bonds6

About (2,4-dimethoxyphenyl) pentanoate

(2,4-dimethoxyphenyl) pentanoate (PubChem CID 91361677) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl) pentanoate.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl) pentanoate
PubChem CID91361677
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name(2,4-dimethoxyphenyl) pentanoate
SMILESCCCCC(=O)Oc1ccc(OC)cc1OC
InChIInChI=1S/C13H18O4/c1-4-5-6-13(14)17-11-8-7-10(15-2)9-12(11)16-3/h7-9H,4-6H2,1-3H3
InChIKeyVNRUIQVEJMZNOJ-UHFFFAOYSA-N
XLogP2.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.80
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

(4-methoxy-2-nonanoyloxyphenyl) nonanoate
CID 140675759
(2,4-dimethoxyphenyl) 3-chloropropanoate
CID 69127526
ethyl 3-methoxy-4-pentanoyloxybenzoate
CID 91527974
(4-butoxy-2-hexanoyloxyphenyl) hexanoate
CID 90031614
[4-methoxy-2-(4-methylpentanoyloxy)phenyl] 4-methylpentanoate
CID 90032024
(2-heptanoyloxy-4-heptoxyphenyl) heptanoate
CID 90024653
(2-decanoyloxy-4-decoxyphenyl) decanoate
CID 140675721
(2-decanoyloxy-4-nonoxyphenyl) decanoate
CID 140675613
(2E)-2-[(3-methoxy-4-pentanoyloxyphenyl)methylidene]pentanoic acid
CID 70408287
(2-methoxyphenyl) octanoate
CID 68908014
(2-methoxyphenyl) dodecanoate
CID 139927041
(7-methoxynaphthalen-2-yl) hexanoate
CID 60592520

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl) pentanoate?
The IUPAC name of (2,4-dimethoxyphenyl) pentanoate (CID 91361677) is (2,4-dimethoxyphenyl) pentanoate.
What is the SMILES notation for (2,4-dimethoxyphenyl) pentanoate?
The canonical SMILES for (2,4-dimethoxyphenyl) pentanoate is CCCCC(=O)Oc1ccc(OC)cc1OC.
What is the InChIKey of (2,4-dimethoxyphenyl) pentanoate?
The InChIKey is VNRUIQVEJMZNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-4-5-6-13(14)17-11-8-7-10(15-2)9-12(11)16-3/h7-9H,4-6H2,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl) pentanoate?
(2,4-dimethoxyphenyl) pentanoate has a molecular weight of 238.28 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl) pentanoate is sourced from PubChem (CID 91361677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).