2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid

C17H22O4 — CID 115057435

IUPAC2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid
SMILESCOc1cccc2c1CCC(CC(=O)O)C21CCOCC1
InChIInChI=1S/C17H22O4/c1-20-15-4-2-3-14-13(15)6-5-12(11-16(18)19)17(14)7-9-21-10-8-17/h2-4,12H,5-11H2,1H3,(H,18,19)
InChIKeyOJQWXKYIJCVTRG-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.78
Rot. Bonds3

About 2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid

2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid (PubChem CID 115057435) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid
PubChem CID115057435
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Name2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid
SMILESCOc1cccc2c1CCC(CC(=O)O)C21CCOCC1
InChIInChI=1S/C17H22O4/c1-20-15-4-2-3-14-13(15)6-5-12(11-16(18)19)17(14)7-9-21-10-8-17/h2-4,12H,5-11H2,1H3,(H,18,19)
InChIKeyOJQWXKYIJCVTRG-UHFFFAOYSA-N
XLogP2.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057152
(8-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine
CID 115057237
7-methoxyspiro[1,2-dihydroindene-3,4'-oxane]
CID 118314453
1-amino-4-methoxy-N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydroindene-1-carboxamide
CID 138010631
5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol
CID 115010876
2-(7-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-yl)acetic acid
CID 115057293
2-(8-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-yl)acetic acid
CID 115057219
1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 18518702
1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117472035
2-(8'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetic acid
CID 13491708
(2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116810111
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid?
The IUPAC name of 2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid (CID 115057435) is 2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid.
What is the SMILES notation for 2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid?
The canonical SMILES for 2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid is COc1cccc2c1CCC(CC(=O)O)C21CCOCC1.
What is the InChIKey of 2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid?
The InChIKey is OJQWXKYIJCVTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O4/c1-20-15-4-2-3-14-13(15)6-5-12(11-16(18)19)17(14)7-9-21-10-8-17/h2-4,12H,5-11H2,1H3,(H,18,19).
What are the key properties of 2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid?
2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid is sourced from PubChem (CID 115057435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).