(3-methoxy-2-pentanoyloxyphenyl) pentanoate

C17H24O5 — CID 90032115

IUPAC(3-methoxy-2-pentanoyloxyphenyl) pentanoate
SMILESCCCCC(=O)Oc1cccc(OC)c1OC(=O)CCCC
InChIInChI=1S/C17H24O5/c1-4-6-11-15(18)21-14-10-8-9-13(20-3)17(14)22-16(19)12-7-5-2/h8-10H,4-7,11-12H2,1-3H3
InChIKeyLHCJBSYPQYIFEZ-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.89
Rot. Bonds9

About (3-methoxy-2-pentanoyloxyphenyl) pentanoate

(3-methoxy-2-pentanoyloxyphenyl) pentanoate (PubChem CID 90032115) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is (3-methoxy-2-pentanoyloxyphenyl) pentanoate.

Molecular Properties

Compound Name(3-methoxy-2-pentanoyloxyphenyl) pentanoate
PubChem CID90032115
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Name(3-methoxy-2-pentanoyloxyphenyl) pentanoate
SMILESCCCCC(=O)Oc1cccc(OC)c1OC(=O)CCCC
InChIInChI=1S/C17H24O5/c1-4-6-11-15(18)21-14-10-8-9-13(20-3)17(14)22-16(19)12-7-5-2/h8-10H,4-7,11-12H2,1-3H3
InChIKeyLHCJBSYPQYIFEZ-UHFFFAOYSA-N
XLogP3.89
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-heptanoyloxy-3-methoxyphenyl) heptanoate
CID 90024942
(2-butanoyloxy-3-methoxyphenyl) butanoate
CID 140675737
[2,3-di(octadecanoyloxy)phenyl] octadecanoate
CID 172679965
(2-pentanoyloxy-3-pentoxyphenyl) pentanoate
CID 90032453
bis(2,6-dimethoxyphenyl) butanedioate
CID 91737376
5-O-(2,6-dimethoxyphenyl) 1-O-undecyl pentanedioate
CID 91721536
(3-iodo-2-pentanoyloxyphenyl) pentanoate
CID 90032443
(2-acetyl-6-methoxyphenyl) hexanoate
CID 175201199
(2-heptanoyloxy-3-octoxyphenyl) heptanoate
CID 90024985
[3-(2-methylpropyl)-2-pentanoyloxyphenyl] pentanoate
CID 90031644
(2-methoxyphenyl) dodecanoate
CID 139927041
(2-methoxyphenyl) octanoate
CID 68908014

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-pentanoyloxyphenyl) pentanoate?
The IUPAC name of (3-methoxy-2-pentanoyloxyphenyl) pentanoate (CID 90032115) is (3-methoxy-2-pentanoyloxyphenyl) pentanoate.
What is the SMILES notation for (3-methoxy-2-pentanoyloxyphenyl) pentanoate?
The canonical SMILES for (3-methoxy-2-pentanoyloxyphenyl) pentanoate is CCCCC(=O)Oc1cccc(OC)c1OC(=O)CCCC.
What is the InChIKey of (3-methoxy-2-pentanoyloxyphenyl) pentanoate?
The InChIKey is LHCJBSYPQYIFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O5/c1-4-6-11-15(18)21-14-10-8-9-13(20-3)17(14)22-16(19)12-7-5-2/h8-10H,4-7,11-12H2,1-3H3.
What are the key properties of (3-methoxy-2-pentanoyloxyphenyl) pentanoate?
(3-methoxy-2-pentanoyloxyphenyl) pentanoate has a molecular weight of 308.37 g/mol, XLogP of 3.89, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-pentanoyloxyphenyl) pentanoate is sourced from PubChem (CID 90032115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).