methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate

C23H30O4 — CID 139088543

IUPACmethyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate
SMILESCOC(=O)CCCCCCCCCOc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H30O4/c1-26-23(25)9-7-5-3-2-4-6-8-18-27-22-16-12-20(13-17-22)19-10-14-21(24)15-11-19/h10-17,24H,2-9,18H2,1H3
InChIKeyMRAOMYILNONHSI-UHFFFAOYSA-N
MW370.49 g/mol
LogP5.73
Rot. Bonds12

About methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate

methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate (PubChem CID 139088543) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate.

Molecular Properties

Compound Namemethyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate
PubChem CID139088543
Molecular FormulaC23H30O4
Molecular Weight370.49 g/mol
Exact Mass370.21
IUPAC Namemethyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate
SMILESCOC(=O)CCCCCCCCCOc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H30O4/c1-26-23(25)9-7-5-3-2-4-6-8-18-27-22-16-12-20(13-17-22)19-10-14-21(24)15-11-19/h10-17,24H,2-9,18H2,1H3
InChIKeyMRAOMYILNONHSI-UHFFFAOYSA-N
XLogP5.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 11-(4-iodophenoxy)undecanoate
CID 58773804
methyl 4-[4-(4-iodophenyl)phenoxy]butanoate
CID 43378252
methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-[4-(4-phenoxybutoxy)phenyl]propanoate
CID 67685934
methyl 10-(4-nitrophenoxy)decanoate
CID 100972359
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
methyl 11-(4-phenyldiazenylphenoxy)undecanoate
CID 151541407
methyl 6-(4-hydroxyphenyl)sulfanylhexanoate
CID 135365803
methyl 6-[4-amino-3-(4-methylphenyl)phenoxy]hexanoate
CID 69434854
bis[6-[6-(4-methylphenoxy)hexoxy]-6-oxohexyl] butanedioate
CID 58027900
methyl 4-[4-(8-bromooctoxy)phenyl]benzoate
CID 21182253
bis(4-hydroxyphenyl) hexanedioate
CID 66769037
tert-butyl 6-(4-phenylphenoxy)hexanoate
CID 11724831

Frequently Asked Questions

What is the IUPAC name of methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate?
The IUPAC name of methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate (CID 139088543) is methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate.
What is the SMILES notation for methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate?
The canonical SMILES for methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate is COC(=O)CCCCCCCCCOc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate?
The InChIKey is MRAOMYILNONHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O4/c1-26-23(25)9-7-5-3-2-4-6-8-18-27-22-16-12-20(13-17-22)19-10-14-21(24)15-11-19/h10-17,24H,2-9,18H2,1H3.
What are the key properties of methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate?
methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate has a molecular weight of 370.49 g/mol, XLogP of 5.73, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate is sourced from PubChem (CID 139088543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).