propyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate

C20H24O4 — CID 82186309

IUPACpropyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCc2ccc(C)cc2)c(OCC)c1
InChIInChI=1S/C20H24O4/c1-4-12-23-20(21)17-10-11-18(19(13-17)22-5-2)24-14-16-8-6-15(3)7-9-16/h6-11,13H,4-5,12,14H2,1-3H3
InChIKeyONCIJHMIUODULO-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.54
Rot. Bonds8

About propyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate

propyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate (PubChem CID 82186309) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is propyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate.

Molecular Properties

Compound Namepropyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate
PubChem CID82186309
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Namepropyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCc2ccc(C)cc2)c(OCC)c1
InChIInChI=1S/C20H24O4/c1-4-12-23-20(21)17-10-11-18(19(13-17)22-5-2)24-14-16-8-6-15(3)7-9-16/h6-11,13H,4-5,12,14H2,1-3H3
InChIKeyONCIJHMIUODULO-UHFFFAOYSA-N
XLogP4.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
CID 82057351
ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
CID 82057337
propyl 4-ethoxy-3-methoxybenzoate
CID 78907992
ethyl 3,4-diethoxybenzoate
CID 586407
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 7139432
3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid
CID 9149869
3-ethoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-propoxybenzamide
CID 126324746
ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate
CID 91681694
ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate
CID 121423908
(3S)-3-amino-3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid
CID 9152526
ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682643
propyl 4-[(2-aminophenoxy)methyl]benzoate
CID 39109159

Frequently Asked Questions

What is the IUPAC name of propyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate?
The IUPAC name of propyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate (CID 82186309) is propyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate.
What is the SMILES notation for propyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate?
The canonical SMILES for propyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate is CCCOC(=O)c1ccc(OCc2ccc(C)cc2)c(OCC)c1.
What is the InChIKey of propyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate?
The InChIKey is ONCIJHMIUODULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-4-12-23-20(21)17-10-11-18(19(13-17)22-5-2)24-14-16-8-6-15(3)7-9-16/h6-11,13H,4-5,12,14H2,1-3H3.
What are the key properties of propyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate?
propyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate has a molecular weight of 328.41 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate is sourced from PubChem (CID 82186309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).