(2S)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-2-hydroxypropanoic acid

C17H26O7 — CID 174172244

IUPAC(2S)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-2-hydroxypropanoic acid
SMILESCCOCCOCCOCCOc1ccc(C[C@H](O)C(=O)O)cc1
InChIInChI=1S/C17H26O7/c1-2-21-7-8-22-9-10-23-11-12-24-15-5-3-14(4-6-15)13-16(18)17(19)20/h3-6,16,18H,2,7-13H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyAYWJFCYWWHIIHX-INIZCTEOSA-N
MW342.39 g/mol
LogP1.12
Rot. Bonds14

About (2S)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-2-hydroxypropanoic acid

(2S)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-2-hydroxypropanoic acid (PubChem CID 174172244) has the molecular formula C17H26O7 and a molecular weight of 342.39 g/mol. Its IUPAC name is (2S)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-2-hydroxypropanoic acid
PubChem CID174172244
Molecular FormulaC17H26O7
Molecular Weight342.39 g/mol
Exact Mass342.17
IUPAC Name(2S)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-2-hydroxypropanoic acid
SMILESCCOCCOCCOCCOc1ccc(C[C@H](O)C(=O)O)cc1
InChIInChI=1S/C17H26O7/c1-2-21-7-8-22-9-10-23-11-12-24-15-5-3-14(4-6-15)13-16(18)17(19)20/h3-6,16,18H,2,7-13H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyAYWJFCYWWHIIHX-INIZCTEOSA-N
XLogP1.12
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
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
3-[4-[3-[4-(2-carboxy-2-hydroxyethyl)phenoxy]propoxy]phenyl]-2-hydroxypropanoic acid
CID 141111710
3-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-methylsulfonyloxypropanoic acid
CID 172811551
3-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-[4,7,10-tris(1-carboxy-2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid;gadolinium
CID 170648024
methyl (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoate
CID 165125468
(2R)-3-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-(1,4,7,10-tetrazacyclododec-1-yl)propanoic acid
CID 172852564
tert-butyl-[1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-3-hydroxypropan-2-yl]carbamic acid
CID 174215983
tert-butyl-[1-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-hydroxypropan-2-yl]carbamic acid
CID 174215966
(2R)-3-[4-(2-ethoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 150928139
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041
2-[4-[2-[4-(2-carboxy-2-hydroxyethyl)phenoxy]ethyl]phenoxy]-2-methylpropanoic acid
CID 141111717
ethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid
CID 142975502

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-2-hydroxypropanoic acid (CID 174172244) is (2S)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-2-hydroxypropanoic acid is CCOCCOCCOCCOc1ccc(C[C@H](O)C(=O)O)cc1.
What is the InChIKey of (2S)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-2-hydroxypropanoic acid?
The InChIKey is AYWJFCYWWHIIHX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26O7/c1-2-21-7-8-22-9-10-23-11-12-24-15-5-3-14(4-6-15)13-16(18)17(19)20/h3-6,16,18H,2,7-13H2,1H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (2S)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-2-hydroxypropanoic acid?
(2S)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-2-hydroxypropanoic acid has a molecular weight of 342.39 g/mol, XLogP of 1.12, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-2-hydroxypropanoic acid is sourced from PubChem (CID 174172244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).