methyl (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoate

C18H28O6 — CID 165125468

IUPACmethyl (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoate
SMILESCCOCCOCCOc1ccc(CCC[C@@H](O)C(=O)OC)cc1
InChIInChI=1S/C18H28O6/c1-3-22-11-12-23-13-14-24-16-9-7-15(8-10-16)5-4-6-17(19)18(20)21-2/h7-10,17,19H,3-6,11-14H2,1-2H3/t17-/m1/s1
InChIKeyZLPXMYQBTHOZHD-QGZVFWFLSA-N
MW340.42 g/mol
LogP1.98
Rot. Bonds13

About methyl (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoate

methyl (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoate (PubChem CID 165125468) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoate.

Molecular Properties

Compound Namemethyl (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoate
PubChem CID165125468
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Namemethyl (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoate
SMILESCCOCCOCCOc1ccc(CCC[C@@H](O)C(=O)OC)cc1
InChIInChI=1S/C18H28O6/c1-3-22-11-12-23-13-14-24-16-9-7-15(8-10-16)5-4-6-17(19)18(20)21-2/h7-10,17,19H,3-6,11-14H2,1-2H3/t17-/m1/s1
InChIKeyZLPXMYQBTHOZHD-QGZVFWFLSA-N
XLogP1.98
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoic acid
CID 174172216
methyl 5-[4-(4-aminobutoxy)phenyl]-2-hydroxypentanoate
CID 162757829
(2S)-2-[7,10-bis[(1S)-1-carboxy-2-hydroxyethyl]-4-[(1R)-1-carboxy-2-hydroxyethyl]-1,4,7,10-tetrazacyclododec-1-yl]-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]pentanoic acid;methyl (2S)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-[10-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-4,7-bis[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]pentanoate
CID 175792986
(2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-methylsulfonyloxypentanoic acid
CID 174172214
(2S)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-2-hydroxypropanoic acid
CID 174172244
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041
(2S)-2-[4-[(1R)-1-carboxy-2-hydroxyethyl]-7,10-bis(1-carboxy-2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]pentanoic acid
CID 174172187
methyl (2S)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-[7-[(2R)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-4-[(2S)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]pentanoate
CID 165125444
(2R)-2-[10-[(1S)-1-carboxy-2-hydroxyethyl]-4,7-bis[(1R)-1-carboxy-2-hydroxyethyl]-1,4,7,10-tetrazacyclododec-1-yl]-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]pentanoic acid;gadolinium
CID 171606170
(2S)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-[4,7,10-tris[(1R)-1-carboxy-2-hydroxyethyl]-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid;gadolinium
CID 170648038
(2S)-2-[4-(carboxymethyl)-7,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]pentanoic acid
CID 171065596
4-[4-(2-butoxyethoxy)phenyl]butan-2-ol
CID 61483224

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoate?
The IUPAC name of methyl (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoate (CID 165125468) is methyl (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoate.
What is the SMILES notation for methyl (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoate?
The canonical SMILES for methyl (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoate is CCOCCOCCOc1ccc(CCC[C@@H](O)C(=O)OC)cc1.
What is the InChIKey of methyl (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoate?
The InChIKey is ZLPXMYQBTHOZHD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28O6/c1-3-22-11-12-23-13-14-24-16-9-7-15(8-10-16)5-4-6-17(19)18(20)21-2/h7-10,17,19H,3-6,11-14H2,1-2H3/t17-/m1/s1.
What are the key properties of methyl (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoate?
methyl (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoate has a molecular weight of 340.42 g/mol, XLogP of 1.98, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoate is sourced from PubChem (CID 165125468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).