spiro[1H-naphthalene-4,4'-oxane]-2-carboxylic acid

C15H16O3 — CID 68810115

IUPACspiro[1H-naphthalene-4,4'-oxane]-2-carboxylic acid
SMILESO=C(O)C1=CC2(CCOCC2)c2ccccc2C1
InChIInChI=1S/C15H16O3/c16-14(17)12-9-11-3-1-2-4-13(11)15(10-12)5-7-18-8-6-15/h1-4,10H,5-9H2,(H,16,17)
InChIKeyQKFPXSARRHCXIG-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.30
Rot. Bonds1

About spiro[1H-naphthalene-4,4'-oxane]-2-carboxylic acid

spiro[1H-naphthalene-4,4'-oxane]-2-carboxylic acid (PubChem CID 68810115) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is spiro[1H-naphthalene-4,4'-oxane]-2-carboxylic acid.

Molecular Properties

Compound Namespiro[1H-naphthalene-4,4'-oxane]-2-carboxylic acid
PubChem CID68810115
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Namespiro[1H-naphthalene-4,4'-oxane]-2-carboxylic acid
SMILESO=C(O)C1=CC2(CCOCC2)c2ccccc2C1
InChIInChI=1S/C15H16O3/c16-14(17)12-9-11-3-1-2-4-13(11)15(10-12)5-7-18-8-6-15/h1-4,10H,5-9H2,(H,16,17)
InChIKeyQKFPXSARRHCXIG-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1H-naphthalene-4,4'-oxane]-2-carboxylic acid?
The IUPAC name of spiro[1H-naphthalene-4,4'-oxane]-2-carboxylic acid (CID 68810115) is spiro[1H-naphthalene-4,4'-oxane]-2-carboxylic acid.
What is the SMILES notation for spiro[1H-naphthalene-4,4'-oxane]-2-carboxylic acid?
The canonical SMILES for spiro[1H-naphthalene-4,4'-oxane]-2-carboxylic acid is O=C(O)C1=CC2(CCOCC2)c2ccccc2C1.
What is the InChIKey of spiro[1H-naphthalene-4,4'-oxane]-2-carboxylic acid?
The InChIKey is QKFPXSARRHCXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c16-14(17)12-9-11-3-1-2-4-13(11)15(10-12)5-7-18-8-6-15/h1-4,10H,5-9H2,(H,16,17).
What are the key properties of spiro[1H-naphthalene-4,4'-oxane]-2-carboxylic acid?
spiro[1H-naphthalene-4,4'-oxane]-2-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-naphthalene-4,4'-oxane]-2-carboxylic acid is sourced from PubChem (CID 68810115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).