2-[2-(2-methoxyethoxy)ethyl]-2-(naphthalen-1-ylmethyl)propanedioic acid

C19H22O6 — CID 70460837

IUPAC2-[2-(2-methoxyethoxy)ethyl]-2-(naphthalen-1-ylmethyl)propanedioic acid
SMILESCOCCOCCC(Cc1cccc2ccccc12)(C(=O)O)C(=O)O
InChIInChI=1S/C19H22O6/c1-24-11-12-25-10-9-19(17(20)21,18(22)23)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8H,9-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyGKEQKYLGMLYPOB-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.59
Rot. Bonds10

About 2-[2-(2-methoxyethoxy)ethyl]-2-(naphthalen-1-ylmethyl)propanedioic acid

2-[2-(2-methoxyethoxy)ethyl]-2-(naphthalen-1-ylmethyl)propanedioic acid (PubChem CID 70460837) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-2-(naphthalen-1-ylmethyl)propanedioic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-2-(naphthalen-1-ylmethyl)propanedioic acid
PubChem CID70460837
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-2-(naphthalen-1-ylmethyl)propanedioic acid
SMILESCOCCOCCC(Cc1cccc2ccccc12)(C(=O)O)C(=O)O
InChIInChI=1S/C19H22O6/c1-24-11-12-25-10-9-19(17(20)21,18(22)23)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8H,9-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyGKEQKYLGMLYPOB-UHFFFAOYSA-N
XLogP2.59
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyethoxy)-1-naphthalen-1-ylpropan-1-one
CID 113236326
2-methyl-2-(naphthalen-1-ylmethyl)butanedioic acid
CID 19928713
4-(2-methoxyethoxy)-1-naphthalen-1-ylbutan-2-amine
CID 102927867
N-(2-methoxyethoxy)-1-naphthalen-1-ylmethanamine
CID 82710702
2,2-dimethyl-3-naphthalen-1-ylpropanamide
CID 90911277
4-ethoxy-1-naphthalen-1-ylbutan-2-one
CID 61054445
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
1-(4-methoxybutyl)naphthalene
CID 69278949
diethyl 2-(cyanomethyl)-2-(naphthalen-1-ylmethyl)propanedioate
CID 54438257
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
1-methoxy-2-(2-methoxyethoxy)ethane;1,3-xylene
CID 69199580
2-(2-methoxyethoxymethyl)phenol
CID 21397612

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-2-(naphthalen-1-ylmethyl)propanedioic acid?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-2-(naphthalen-1-ylmethyl)propanedioic acid (CID 70460837) is 2-[2-(2-methoxyethoxy)ethyl]-2-(naphthalen-1-ylmethyl)propanedioic acid.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-2-(naphthalen-1-ylmethyl)propanedioic acid?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-2-(naphthalen-1-ylmethyl)propanedioic acid is COCCOCCC(Cc1cccc2ccccc12)(C(=O)O)C(=O)O.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-2-(naphthalen-1-ylmethyl)propanedioic acid?
The InChIKey is GKEQKYLGMLYPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O6/c1-24-11-12-25-10-9-19(17(20)21,18(22)23)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8H,9-13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-2-(naphthalen-1-ylmethyl)propanedioic acid?
2-[2-(2-methoxyethoxy)ethyl]-2-(naphthalen-1-ylmethyl)propanedioic acid has a molecular weight of 346.38 g/mol, XLogP of 2.59, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]-2-(naphthalen-1-ylmethyl)propanedioic acid is sourced from PubChem (CID 70460837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).