(2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoic acid

C17H26O6 — CID 174172216

IUPAC(2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoic acid
SMILESCCOCCOCCOc1ccc(CCC[C@@H](O)C(=O)O)cc1
InChIInChI=1S/C17H26O6/c1-2-21-10-11-22-12-13-23-15-8-6-14(7-9-15)4-3-5-16(18)17(19)20/h6-9,16,18H,2-5,10-13H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyVDJXQTYYYRNFDF-MRXNPFEDSA-N
MW326.39 g/mol
LogP1.89
Rot. Bonds13

About (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoic acid

(2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoic acid (PubChem CID 174172216) has the molecular formula C17H26O6 and a molecular weight of 326.39 g/mol. Its IUPAC name is (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoic acid.

Molecular Properties

Compound Name(2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoic acid
PubChem CID174172216
Molecular FormulaC17H26O6
Molecular Weight326.39 g/mol
Exact Mass326.17
IUPAC Name(2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoic acid
SMILESCCOCCOCCOc1ccc(CCC[C@@H](O)C(=O)O)cc1
InChIInChI=1S/C17H26O6/c1-2-21-10-11-22-12-13-23-15-8-6-14(7-9-15)4-3-5-16(18)17(19)20/h6-9,16,18H,2-5,10-13H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyVDJXQTYYYRNFDF-MRXNPFEDSA-N
XLogP1.89
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoate
CID 165125468
(2S)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-2-hydroxypropanoic acid
CID 174172244
(2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-methylsulfonyloxypentanoic acid
CID 174172214
(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
(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
2-hydroxy-5-(4-methoxyphenyl)pentanoic acid
CID 23157957
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041
(2R)-2-[4-[(1S)-1-carboxy-4-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]butyl]-7,10-bis[(1S)-1-carboxylato-2-hydroxyethyl]-1,4,7,10-tetrazacyclododec-1-yl]-3-hydroxypropanoate;gadolinium(3+)
CID 175792909
(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
2-hydroxy-5-(4-methylphenoxy)pentanoic acid
CID 69033071
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoic acid?
The IUPAC name of (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoic acid (CID 174172216) is (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoic acid.
What is the SMILES notation for (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoic acid?
The canonical SMILES for (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoic acid is CCOCCOCCOc1ccc(CCC[C@@H](O)C(=O)O)cc1.
What is the InChIKey of (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoic acid?
The InChIKey is VDJXQTYYYRNFDF-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26O6/c1-2-21-10-11-22-12-13-23-15-8-6-14(7-9-15)4-3-5-16(18)17(19)20/h6-9,16,18H,2-5,10-13H2,1H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoic acid?
(2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoic acid has a molecular weight of 326.39 g/mol, XLogP of 1.89, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoic acid is sourced from PubChem (CID 174172216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).