methyl 3-hydroxy-2-(2-phenylmethoxyethyl)pentanoate

C15H22O4 — CID 134539051

IUPACmethyl 3-hydroxy-2-(2-phenylmethoxyethyl)pentanoate
SMILESCCC(O)C(CCOCc1ccccc1)C(=O)OC
InChIInChI=1S/C15H22O4/c1-3-14(16)13(15(17)18-2)9-10-19-11-12-7-5-4-6-8-12/h4-8,13-14,16H,3,9-11H2,1-2H3
InChIKeyQZKLBDAOGFIXNI-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.15
Rot. Bonds8

About methyl 3-hydroxy-2-(2-phenylmethoxyethyl)pentanoate

methyl 3-hydroxy-2-(2-phenylmethoxyethyl)pentanoate (PubChem CID 134539051) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(2-phenylmethoxyethyl)pentanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(2-phenylmethoxyethyl)pentanoate
PubChem CID134539051
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namemethyl 3-hydroxy-2-(2-phenylmethoxyethyl)pentanoate
SMILESCCC(O)C(CCOCc1ccccc1)C(=O)OC
InChIInChI=1S/C15H22O4/c1-3-14(16)13(15(17)18-2)9-10-19-11-12-7-5-4-6-8-12/h4-8,13-14,16H,3,9-11H2,1-2H3
InChIKeyQZKLBDAOGFIXNI-UHFFFAOYSA-N
XLogP2.15
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.15
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

(4R)-1-phenylmethoxyhexane-3,4-diol
CID 165032455
methyl 2-chloro-4-phenylmethoxybutanoate
CID 121009270
methyl (2R,3R)-2-ethyl-4-methyl-3-(phenylmethoxymethyl)pent-4-enoate
CID 10492730
dimethyl 2-(3-phenylmethoxypropyl)propanedioate
CID 170992106
methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate
CID 11459047
(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
CID 15282429
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
(2R)-2-amino-4-phenylmethoxybutanoic acid
CID 51340689
methyl (2S,3R)-2-benzamido-3-hydroxy-7-phenylmethoxyheptanoate
CID 11361143
methyl N-[(3S,4R)-4-methoxy-6-phenylmethoxyhexan-3-yl]carbamate
CID 102080862
ethyl (5R)-5-hydroxy-3-oxo-7-phenylmethoxyheptanoate
CID 134833162
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(2-phenylmethoxyethyl)pentanoate?
The IUPAC name of methyl 3-hydroxy-2-(2-phenylmethoxyethyl)pentanoate (CID 134539051) is methyl 3-hydroxy-2-(2-phenylmethoxyethyl)pentanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(2-phenylmethoxyethyl)pentanoate?
The canonical SMILES for methyl 3-hydroxy-2-(2-phenylmethoxyethyl)pentanoate is CCC(O)C(CCOCc1ccccc1)C(=O)OC.
What is the InChIKey of methyl 3-hydroxy-2-(2-phenylmethoxyethyl)pentanoate?
The InChIKey is QZKLBDAOGFIXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-3-14(16)13(15(17)18-2)9-10-19-11-12-7-5-4-6-8-12/h4-8,13-14,16H,3,9-11H2,1-2H3.
What are the key properties of methyl 3-hydroxy-2-(2-phenylmethoxyethyl)pentanoate?
methyl 3-hydroxy-2-(2-phenylmethoxyethyl)pentanoate has a molecular weight of 266.34 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(2-phenylmethoxyethyl)pentanoate is sourced from PubChem (CID 134539051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).