methyl 4-[3-(2-ethyl-5-hydroxyphenyl)propyl]benzoate

C19H22O3 — CID 67764675

IUPACmethyl 4-[3-(2-ethyl-5-hydroxyphenyl)propyl]benzoate
SMILESCCc1ccc(O)cc1CCCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C19H22O3/c1-3-15-11-12-18(20)13-17(15)6-4-5-14-7-9-16(10-8-14)19(21)22-2/h7-13,20H,3-6H2,1-2H3
InChIKeyRCXWOERVKZTVSU-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.92
Rot. Bonds6

About methyl 4-[3-(2-ethyl-5-hydroxyphenyl)propyl]benzoate

methyl 4-[3-(2-ethyl-5-hydroxyphenyl)propyl]benzoate (PubChem CID 67764675) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is methyl 4-[3-(2-ethyl-5-hydroxyphenyl)propyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-(2-ethyl-5-hydroxyphenyl)propyl]benzoate
PubChem CID67764675
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Namemethyl 4-[3-(2-ethyl-5-hydroxyphenyl)propyl]benzoate
SMILESCCc1ccc(O)cc1CCCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C19H22O3/c1-3-15-11-12-18(20)13-17(15)6-4-5-14-7-9-16(10-8-14)19(21)22-2/h7-13,20H,3-6H2,1-2H3
InChIKeyRCXWOERVKZTVSU-UHFFFAOYSA-N
XLogP3.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
methyl 4-[3-(4-fluorophenyl)propyl]benzoate
CID 58531347
methyl 4-[(E)-5-methoxypent-4-enyl]benzoate
CID 11085712
3-(4-methoxycarbonylphenyl)propylazanium
CID 154715672
methyl 4-[3-(4-hexylphenyl)-3-oxopropanoyl]benzoate
CID 58428312
methyl 4-(4-pentylphenoxy)benzoate
CID 142415116
methyl 2-amino-4-[3-(4-methoxycarbonylphenyl)propyl]furan-3-carboxylate
CID 19788710
methyl 3-[3-[3-ethyl-4-[(2-oxo-1-pyridinyl)methyl]phenyl]propyl]-4-hydroxybenzoate
CID 123317340
methyl 4-[4-(4-propylphenyl)phenyl]benzoate
CID 142331537
methyl 4-[(4E)-4-(hydroxymethylidene)-5-oxohexyl]benzoate
CID 134922745
ethane;methyl 4-[2-[3-ethyl-2-(methylamino)phenyl]ethyl]benzoate
CID 144819152
methyl 4-hex-5-enylbenzoate
CID 15527474

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(2-ethyl-5-hydroxyphenyl)propyl]benzoate?
The IUPAC name of methyl 4-[3-(2-ethyl-5-hydroxyphenyl)propyl]benzoate (CID 67764675) is methyl 4-[3-(2-ethyl-5-hydroxyphenyl)propyl]benzoate.
What is the SMILES notation for methyl 4-[3-(2-ethyl-5-hydroxyphenyl)propyl]benzoate?
The canonical SMILES for methyl 4-[3-(2-ethyl-5-hydroxyphenyl)propyl]benzoate is CCc1ccc(O)cc1CCCc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[3-(2-ethyl-5-hydroxyphenyl)propyl]benzoate?
The InChIKey is RCXWOERVKZTVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-3-15-11-12-18(20)13-17(15)6-4-5-14-7-9-16(10-8-14)19(21)22-2/h7-13,20H,3-6H2,1-2H3.
What are the key properties of methyl 4-[3-(2-ethyl-5-hydroxyphenyl)propyl]benzoate?
methyl 4-[3-(2-ethyl-5-hydroxyphenyl)propyl]benzoate has a molecular weight of 298.38 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(2-ethyl-5-hydroxyphenyl)propyl]benzoate is sourced from PubChem (CID 67764675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).