4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid

C20H18O5 — CID 22687818

IUPAC4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid
SMILESCOc1ccc(C(=O)O)c(OCCOc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H18O5/c1-23-16-8-9-18(20(21)22)19(13-16)25-11-10-24-17-7-6-14-4-2-3-5-15(14)12-17/h2-9,12-13H,10-11H2,1H3,(H,21,22)
InChIKeyBFGFDNLDQWEULP-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.00
Rot. Bonds7

About 4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid

4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid (PubChem CID 22687818) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid
PubChem CID22687818
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid
SMILESCOc1ccc(C(=O)O)c(OCCOc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H18O5/c1-23-16-8-9-18(20(21)22)19(13-16)25-11-10-24-17-7-6-14-4-2-3-5-15(14)12-17/h2-9,12-13H,10-11H2,1H3,(H,21,22)
InChIKeyBFGFDNLDQWEULP-UHFFFAOYSA-N
XLogP4.00
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.00
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

2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid
CID 20990666
methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate
CID 78766507
4-methoxy-2-(2-phenoxyethoxy)benzamide
CID 18085843
2-(3-amino-3-oxopropoxy)-4-methoxybenzoic acid
CID 60712906
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine
CID 20984431
4-methoxy-2-(3-methylsulfonylpropoxy)benzoic acid
CID 63190587
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2096449
4-decoxy-2-hexoxybenzoic acid
CID 141156533
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707
2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid
CID 45418219

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid?
The IUPAC name of 4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid (CID 22687818) is 4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid.
What is the SMILES notation for 4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid?
The canonical SMILES for 4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid is COc1ccc(C(=O)O)c(OCCOc2ccc3ccccc3c2)c1.
What is the InChIKey of 4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid?
The InChIKey is BFGFDNLDQWEULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c1-23-16-8-9-18(20(21)22)19(13-16)25-11-10-24-17-7-6-14-4-2-3-5-15(14)12-17/h2-9,12-13H,10-11H2,1H3,(H,21,22).
What are the key properties of 4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid?
4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid has a molecular weight of 338.36 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid is sourced from PubChem (CID 22687818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).