2-naphthalen-2-yloxyacetic acid

C12H10O3 — CID 8422

IUPAC2-naphthalen-2-yloxyacetic acid
SMILESO=C(O)COc1ccc2ccccc2c1
InChIInChI=1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)
InChIKeyRZCJYMOBWVJQGV-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.30
Rot. Bonds3

About 2-naphthalen-2-yloxyacetic acid

2-naphthalen-2-yloxyacetic acid (PubChem CID 8422) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-naphthalen-2-yloxyacetic acid.

Molecular Properties

Compound Name2-naphthalen-2-yloxyacetic acid
PubChem CID8422
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name2-naphthalen-2-yloxyacetic acid
SMILESO=C(O)COc1ccc2ccccc2c1
InChIInChI=1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)
InChIKeyRZCJYMOBWVJQGV-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxyacetic acid?
The IUPAC name of 2-naphthalen-2-yloxyacetic acid (CID 8422) is 2-naphthalen-2-yloxyacetic acid.
What is the SMILES notation for 2-naphthalen-2-yloxyacetic acid?
The canonical SMILES for 2-naphthalen-2-yloxyacetic acid is O=C(O)COc1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yloxyacetic acid?
The InChIKey is RZCJYMOBWVJQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14).
What are the key properties of 2-naphthalen-2-yloxyacetic acid?
2-naphthalen-2-yloxyacetic acid has a molecular weight of 202.21 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxyacetic acid is sourced from PubChem (CID 8422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).