4-(2-oxo-2-phenylmethoxyethyl)naphthalene-1-carboxylic acid

C20H16O4 — CID 174545200

IUPAC4-(2-oxo-2-phenylmethoxyethyl)naphthalene-1-carboxylic acid
SMILESO=C(Cc1ccc(C(=O)O)c2ccccc12)OCc1ccccc1
InChIInChI=1S/C20H16O4/c21-19(24-13-14-6-2-1-3-7-14)12-15-10-11-18(20(22)23)17-9-5-4-8-16(15)17/h1-11H,12-13H2,(H,22,23)
InChIKeyHFWMGJLIMBSTKC-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.82
Rot. Bonds5

About 4-(2-oxo-2-phenylmethoxyethyl)naphthalene-1-carboxylic acid

4-(2-oxo-2-phenylmethoxyethyl)naphthalene-1-carboxylic acid (PubChem CID 174545200) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is 4-(2-oxo-2-phenylmethoxyethyl)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-oxo-2-phenylmethoxyethyl)naphthalene-1-carboxylic acid
PubChem CID174545200
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name4-(2-oxo-2-phenylmethoxyethyl)naphthalene-1-carboxylic acid
SMILESO=C(Cc1ccc(C(=O)O)c2ccccc12)OCc1ccccc1
InChIInChI=1S/C20H16O4/c21-19(24-13-14-6-2-1-3-7-14)12-15-10-11-18(20(22)23)17-9-5-4-8-16(15)17/h1-11H,12-13H2,(H,22,23)
InChIKeyHFWMGJLIMBSTKC-UHFFFAOYSA-N
XLogP3.82
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalene-1,4-dicarboxylic acid;vanadium
CID 175565757
4-(4-ethoxy-4-oxobutyl)naphthalene-1-carboxylic acid
CID 71469361
benzyl 2-(1H-indol-4-yl)acetate
CID 143599585
benzyl 2-aminoacetate
CID 122130027
benzyl 2-[(1R,3S)-3-hydroxy-2,2-dimethylcyclopropyl]acetate
CID 11172363
(4-chlorophenyl)methyl 2-naphthalen-1-ylacetate
CID 165364396
benzyl 4-iodonaphthalene-1-carboxylate
CID 138644772
benzyl 2-aminoacetate;hydrochloride
CID 11701227
(2-oxo-2-phenylmethoxyethyl)azanium
CID 3684791
benzyl 2-chloroacetate
CID 8786
benzyl 4-phenylbutanoate
CID 11961623
CID 173397882
CID 173397882

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-phenylmethoxyethyl)naphthalene-1-carboxylic acid?
The IUPAC name of 4-(2-oxo-2-phenylmethoxyethyl)naphthalene-1-carboxylic acid (CID 174545200) is 4-(2-oxo-2-phenylmethoxyethyl)naphthalene-1-carboxylic acid.
What is the SMILES notation for 4-(2-oxo-2-phenylmethoxyethyl)naphthalene-1-carboxylic acid?
The canonical SMILES for 4-(2-oxo-2-phenylmethoxyethyl)naphthalene-1-carboxylic acid is O=C(Cc1ccc(C(=O)O)c2ccccc12)OCc1ccccc1.
What is the InChIKey of 4-(2-oxo-2-phenylmethoxyethyl)naphthalene-1-carboxylic acid?
The InChIKey is HFWMGJLIMBSTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c21-19(24-13-14-6-2-1-3-7-14)12-15-10-11-18(20(22)23)17-9-5-4-8-16(15)17/h1-11H,12-13H2,(H,22,23).
What are the key properties of 4-(2-oxo-2-phenylmethoxyethyl)naphthalene-1-carboxylic acid?
4-(2-oxo-2-phenylmethoxyethyl)naphthalene-1-carboxylic acid has a molecular weight of 320.34 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-phenylmethoxyethyl)naphthalene-1-carboxylic acid is sourced from PubChem (CID 174545200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).