2-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-ylacetic acid

C16H18O3 — CID 18913516

IUPAC2-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-ylacetic acid
SMILESCC(C)(C)OC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C16H18O3/c1-16(2,3)19-14(15(17)18)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,14H,1-3H3,(H,17,18)
InChIKeyDEDDOPYUZOHPAC-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.78
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-ylacetic acid

2-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-ylacetic acid (PubChem CID 18913516) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-ylacetic acid
PubChem CID18913516
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-ylacetic acid
SMILESCC(C)(C)OC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C16H18O3/c1-16(2,3)19-14(15(17)18)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,14H,1-3H3,(H,17,18)
InChIKeyDEDDOPYUZOHPAC-UHFFFAOYSA-N
XLogP3.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-ylacetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-ylacetic acid (CID 18913516) is 2-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-ylacetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-ylacetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-ylacetic acid is CC(C)(C)OC(C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-ylacetic acid?
The InChIKey is DEDDOPYUZOHPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-16(2,3)19-14(15(17)18)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,14H,1-3H3,(H,17,18).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-ylacetic acid?
2-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-ylacetic acid has a molecular weight of 258.32 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-ylacetic acid is sourced from PubChem (CID 18913516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).