methyl 4-(4-hydroxy-3-propylphenoxy)benzoate

C17H18O4 — CID 54381227

IUPACmethyl 4-(4-hydroxy-3-propylphenoxy)benzoate
SMILESCCCc1cc(Oc2ccc(C(=O)OC)cc2)ccc1O
InChIInChI=1S/C17H18O4/c1-3-4-13-11-15(9-10-16(13)18)21-14-7-5-12(6-8-14)17(19)20-2/h5-11,18H,3-4H2,1-2H3
InChIKeyVAAUUFJYEUXLJR-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.92
Rot. Bonds5

About methyl 4-(4-hydroxy-3-propylphenoxy)benzoate

methyl 4-(4-hydroxy-3-propylphenoxy)benzoate (PubChem CID 54381227) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 4-(4-hydroxy-3-propylphenoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-(4-hydroxy-3-propylphenoxy)benzoate
PubChem CID54381227
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Namemethyl 4-(4-hydroxy-3-propylphenoxy)benzoate
SMILESCCCc1cc(Oc2ccc(C(=O)OC)cc2)ccc1O
InChIInChI=1S/C17H18O4/c1-3-4-13-11-15(9-10-16(13)18)21-14-7-5-12(6-8-14)17(19)20-2/h5-11,18H,3-4H2,1-2H3
InChIKeyVAAUUFJYEUXLJR-UHFFFAOYSA-N
XLogP3.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxy-3-propylphenyl) acetate
CID 151790700
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933
methyl 4-(4-pentylphenoxy)benzoate
CID 142415116
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
4-(4-cyclohexylphenoxy)-2-propylphenol
CID 21466147
3-[2-hydroxy-5-(4-methoxycarbonylbenzoyl)phenyl]propanoic acid
CID 19922000
dimethyl 2-propylbenzene-1,4-dicarboxylate
CID 161443646
methyl 4-[4-(4-methoxycarbonylphenoxy)-3-methylphenoxy]benzoate
CID 161428030
methyl 3-(aminomethyl)-4-hydroxybenzoate;hydrochloride
CID 46786076
2-bromo-1-(4-hydroxy-3-propylphenyl)ethanone
CID 22641008
methyl 4-[4-(aminomethyl)phenoxy]benzoate;hydrochloride
CID 155817718
methyl 2-ethyl-4-phenoxybenzoate
CID 154641333

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-hydroxy-3-propylphenoxy)benzoate?
The IUPAC name of methyl 4-(4-hydroxy-3-propylphenoxy)benzoate (CID 54381227) is methyl 4-(4-hydroxy-3-propylphenoxy)benzoate.
What is the SMILES notation for methyl 4-(4-hydroxy-3-propylphenoxy)benzoate?
The canonical SMILES for methyl 4-(4-hydroxy-3-propylphenoxy)benzoate is CCCc1cc(Oc2ccc(C(=O)OC)cc2)ccc1O.
What is the InChIKey of methyl 4-(4-hydroxy-3-propylphenoxy)benzoate?
The InChIKey is VAAUUFJYEUXLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-3-4-13-11-15(9-10-16(13)18)21-14-7-5-12(6-8-14)17(19)20-2/h5-11,18H,3-4H2,1-2H3.
What are the key properties of methyl 4-(4-hydroxy-3-propylphenoxy)benzoate?
methyl 4-(4-hydroxy-3-propylphenoxy)benzoate has a molecular weight of 286.33 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-hydroxy-3-propylphenoxy)benzoate is sourced from PubChem (CID 54381227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).