1-(2-hydroxy-2-methylpropoxy)naphthalene-2-carboxylic acid

C15H16O4 — CID 61379131

IUPAC1-(2-hydroxy-2-methylpropoxy)naphthalene-2-carboxylic acid
SMILESCC(C)(O)COc1c(C(=O)O)ccc2ccccc12
InChIInChI=1S/C15H16O4/c1-15(2,18)9-19-13-11-6-4-3-5-10(11)7-8-12(13)14(16)17/h3-8,18H,9H2,1-2H3,(H,16,17)
InChIKeyPHAXDCUYWMAJLF-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.69
Rot. Bonds4

About 1-(2-hydroxy-2-methylpropoxy)naphthalene-2-carboxylic acid

1-(2-hydroxy-2-methylpropoxy)naphthalene-2-carboxylic acid (PubChem CID 61379131) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropoxy)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropoxy)naphthalene-2-carboxylic acid
PubChem CID61379131
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name1-(2-hydroxy-2-methylpropoxy)naphthalene-2-carboxylic acid
SMILESCC(C)(O)COc1c(C(=O)O)ccc2ccccc12
InChIInChI=1S/C15H16O4/c1-15(2,18)9-19-13-11-6-4-3-5-10(11)7-8-12(13)14(16)17/h3-8,18H,9H2,1-2H3,(H,16,17)
InChIKeyPHAXDCUYWMAJLF-UHFFFAOYSA-N
XLogP2.69
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylbutoxy)naphthalene-2-carboxylic acid
CID 63464162
1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid
CID 62034235
1-(2-methylsulfonylethoxy)naphthalene-2-carboxylic acid
CID 60693277
1-(2-methoxyethoxymethoxy)naphthalene-2-carboxylic acid
CID 68977043
1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
CID 107702048
1-pent-3-ynoxynaphthalene-2-carboxylic acid
CID 113455142
naphthalene-1,2-dicarboxylic acid;hydrate
CID 67377556
1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid
CID 60682901
1-pyridin-2-yloxynaphthalene-2-carboxylic acid
CID 61396185
naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid
CID 158292853
1-ethylnaphthalene-2-carboxylic acid
CID 22762218
zinc;bis(2-carboxynaphthalen-1-olate);tetrahydrate
CID 54706141

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropoxy)naphthalene-2-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-2-methylpropoxy)naphthalene-2-carboxylic acid (CID 61379131) is 1-(2-hydroxy-2-methylpropoxy)naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropoxy)naphthalene-2-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-2-methylpropoxy)naphthalene-2-carboxylic acid is CC(C)(O)COc1c(C(=O)O)ccc2ccccc12.
What is the InChIKey of 1-(2-hydroxy-2-methylpropoxy)naphthalene-2-carboxylic acid?
The InChIKey is PHAXDCUYWMAJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-15(2,18)9-19-13-11-6-4-3-5-10(11)7-8-12(13)14(16)17/h3-8,18H,9H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-hydroxy-2-methylpropoxy)naphthalene-2-carboxylic acid?
1-(2-hydroxy-2-methylpropoxy)naphthalene-2-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropoxy)naphthalene-2-carboxylic acid is sourced from PubChem (CID 61379131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).