ethyl 2-hydroxy-6-phenylmethoxyhexanoate

C15H22O4 — CID 141379360

IUPACethyl 2-hydroxy-6-phenylmethoxyhexanoate
SMILESCCOC(=O)C(O)CCCCOCc1ccccc1
InChIInChI=1S/C15H22O4/c1-2-19-15(17)14(16)10-6-7-11-18-12-13-8-4-3-5-9-13/h3-5,8-9,14,16H,2,6-7,10-12H2,1H3
InChIKeyATIONCJNDOBCSF-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.30
Rot. Bonds9

About ethyl 2-hydroxy-6-phenylmethoxyhexanoate

ethyl 2-hydroxy-6-phenylmethoxyhexanoate (PubChem CID 141379360) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-hydroxy-6-phenylmethoxyhexanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-6-phenylmethoxyhexanoate
PubChem CID141379360
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Nameethyl 2-hydroxy-6-phenylmethoxyhexanoate
SMILESCCOC(=O)C(O)CCCCOCc1ccccc1
InChIInChI=1S/C15H22O4/c1-2-19-15(17)14(16)10-6-7-11-18-12-13-8-4-3-5-9-13/h3-5,8-9,14,16H,2,6-7,10-12H2,1H3
InChIKeyATIONCJNDOBCSF-UHFFFAOYSA-N
XLogP2.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.30
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

2-hydroxy-18-phenylmethoxyoctadecanoic acid
CID 101300553
benzyl 2-hydroxydecanoate
CID 139390218
ethyl 2-hydroxy-6-(phenylmethoxycarbonylamino)hexanoate
CID 21392364
(5S)-11-phenylmethoxyundecan-5-ol
CID 25187883
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
diethyl 2-[(2R)-6-phenylmethoxy-2-prop-2-enylhexyl]propanedioate
CID 10475514
4-O-benzyl 1-O-ethyl (2S)-2-hydroxybutanedioate
CID 102323442
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
acetic acid;butoxymethylbenzene
CID 139463153
ethyl 3-oxo-4-phenylmethoxy-2-(2-phenylmethoxyethyl)butanoate
CID 146186329
[2-(octanoyloxymethyl)-7-phenylmethoxyheptyl] octanoate
CID 118165534

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-6-phenylmethoxyhexanoate?
The IUPAC name of ethyl 2-hydroxy-6-phenylmethoxyhexanoate (CID 141379360) is ethyl 2-hydroxy-6-phenylmethoxyhexanoate.
What is the SMILES notation for ethyl 2-hydroxy-6-phenylmethoxyhexanoate?
The canonical SMILES for ethyl 2-hydroxy-6-phenylmethoxyhexanoate is CCOC(=O)C(O)CCCCOCc1ccccc1.
What is the InChIKey of ethyl 2-hydroxy-6-phenylmethoxyhexanoate?
The InChIKey is ATIONCJNDOBCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-2-19-15(17)14(16)10-6-7-11-18-12-13-8-4-3-5-9-13/h3-5,8-9,14,16H,2,6-7,10-12H2,1H3.
What are the key properties of ethyl 2-hydroxy-6-phenylmethoxyhexanoate?
ethyl 2-hydroxy-6-phenylmethoxyhexanoate has a molecular weight of 266.34 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-6-phenylmethoxyhexanoate is sourced from PubChem (CID 141379360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).