2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid

C19H14O4 — CID 19004454

IUPAC2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ccccc1OCc1ccc2ccccc2c1
InChIInChI=1S/C19H14O4/c20-18(19(21)22)16-7-3-4-8-17(16)23-12-13-9-10-14-5-1-2-6-15(14)11-13/h1-11H,12H2,(H,21,22)
InChIKeyYPWPCVHDWYYAJC-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.69
Rot. Bonds5

About 2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid

2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid (PubChem CID 19004454) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid
PubChem CID19004454
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ccccc1OCc1ccc2ccccc2c1
InChIInChI=1S/C19H14O4/c20-18(19(21)22)16-7-3-4-8-17(16)23-12-13-9-10-14-5-1-2-6-15(14)11-13/h1-11H,12H2,(H,21,22)
InChIKeyYPWPCVHDWYYAJC-UHFFFAOYSA-N
XLogP3.69
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(naphthalen-2-ylmethoxy)naphthalene
CID 132511538
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
3,5-bis(naphthalen-2-ylmethoxy)benzoic acid
CID 170676127
3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 563789
[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 18956599
2-(naphthalen-2-ylmethoxycarbonyl)benzoate
CID 71333612
1,2-bis[4-[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]ethane-1,2-dione
CID 102382632
7-(naphthalen-2-ylmethoxy)-1H-indazole-3-carboxylic acid
CID 154796379
2-bromo-1-(2-phenylmethoxyphenyl)ethanone
CID 12541850
2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone
CID 87515751
2-[(3-phenylmethoxyphenyl)methoxy]benzamide
CID 60603891
[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 45371588

Frequently Asked Questions

What is the IUPAC name of 2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid?
The IUPAC name of 2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid (CID 19004454) is 2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid.
What is the SMILES notation for 2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid?
The canonical SMILES for 2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid is O=C(O)C(=O)c1ccccc1OCc1ccc2ccccc2c1.
What is the InChIKey of 2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid?
The InChIKey is YPWPCVHDWYYAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c20-18(19(21)22)16-7-3-4-8-17(16)23-12-13-9-10-14-5-1-2-6-15(14)11-13/h1-11H,12H2,(H,21,22).
What are the key properties of 2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid?
2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid has a molecular weight of 306.32 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid is sourced from PubChem (CID 19004454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).