methyl 8-hydroxy-8-phenyloctanoate

C15H22O3 — CID 139616789

IUPACmethyl 8-hydroxy-8-phenyloctanoate
SMILESCOC(=O)CCCCCCC(O)c1ccccc1
InChIInChI=1S/C15H22O3/c1-18-15(17)12-8-3-2-7-11-14(16)13-9-5-4-6-10-13/h4-6,9-10,14,16H,2-3,7-8,11-12H2,1H3
InChIKeyGNJPQPPUORPQTE-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.23
Rot. Bonds8

About methyl 8-hydroxy-8-phenyloctanoate

methyl 8-hydroxy-8-phenyloctanoate (PubChem CID 139616789) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is methyl 8-hydroxy-8-phenyloctanoate.

Molecular Properties

Compound Namemethyl 8-hydroxy-8-phenyloctanoate
PubChem CID139616789
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Namemethyl 8-hydroxy-8-phenyloctanoate
SMILESCOC(=O)CCCCCCC(O)c1ccccc1
InChIInChI=1S/C15H22O3/c1-18-15(17)12-8-3-2-7-11-14(16)13-9-5-4-6-10-13/h4-6,9-10,14,16H,2-3,7-8,11-12H2,1H3
InChIKeyGNJPQPPUORPQTE-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922
methyl 8-methoxy-8-phenyloctanoate
CID 170851952
methyl 7-amino-7-phenylheptanoate
CID 139616773
methyl 8-amino-7-phenyloctanoate
CID 10060632
methyl 5,5-diphenylpentanoate
CID 10923549
(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
CID 10508386
methyl 6-hydroxy-8-phenyloct-7-ynoate
CID 170782800
methyl 6-[[ethylamino-[(3-hydroxy-3-phenylpropyl)amino]methylidene]amino]hexanoate;hydroiodide
CID 111665531
(5-methoxy-5-oxopentyl)-triphenylphosphanium
CID 3630851
methyl 10-amino-11-phenylundecanoate;hydrochloride
CID 141254127
methyl 6-(2-phenylpropanoylamino)hexanoate
CID 104916813
methyl 6-[(S)-benzhydrylsulfinyl]hexanoate
CID 170567115

Frequently Asked Questions

What is the IUPAC name of methyl 8-hydroxy-8-phenyloctanoate?
The IUPAC name of methyl 8-hydroxy-8-phenyloctanoate (CID 139616789) is methyl 8-hydroxy-8-phenyloctanoate.
What is the SMILES notation for methyl 8-hydroxy-8-phenyloctanoate?
The canonical SMILES for methyl 8-hydroxy-8-phenyloctanoate is COC(=O)CCCCCCC(O)c1ccccc1.
What is the InChIKey of methyl 8-hydroxy-8-phenyloctanoate?
The InChIKey is GNJPQPPUORPQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-18-15(17)12-8-3-2-7-11-14(16)13-9-5-4-6-10-13/h4-6,9-10,14,16H,2-3,7-8,11-12H2,1H3.
What are the key properties of methyl 8-hydroxy-8-phenyloctanoate?
methyl 8-hydroxy-8-phenyloctanoate has a molecular weight of 250.34 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-hydroxy-8-phenyloctanoate is sourced from PubChem (CID 139616789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).