2-(8'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetic acid

C15H18O5 — CID 13491708

IUPAC2-(8'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetic acid
SMILESCOc1cccc2c1CC(CC(=O)O)C1(C2)OCCO1
InChIInChI=1S/C15H18O5/c1-18-13-4-2-3-10-9-15(19-5-6-20-15)11(7-12(10)13)8-14(16)17/h2-4,11H,5-9H2,1H3,(H,16,17)
InChIKeyMLBMYIJDMHDCJF-UHFFFAOYSA-N
MW278.30 g/mol
LogP1.63
Rot. Bonds3

About 2-(8'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetic acid

2-(8'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetic acid (PubChem CID 13491708) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-(8'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetic acid.

Molecular Properties

Compound Name2-(8'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetic acid
PubChem CID13491708
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name2-(8'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetic acid
SMILESCOc1cccc2c1CC(CC(=O)O)C1(C2)OCCO1
InChIInChI=1S/C15H18O5/c1-18-13-4-2-3-10-9-15(19-5-6-20-15)11(7-12(10)13)8-14(16)17/h2-4,11H,5-9H2,1H3,(H,16,17)
InChIKeyMLBMYIJDMHDCJF-UHFFFAOYSA-N
XLogP1.63
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(8'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetic acid with MolForge

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Related Compounds

methyl 2-(5'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetate
CID 10108378
2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid
CID 115057435
5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 123352888
5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 21350616
2-(5-methoxy-1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)acetic acid
CID 84628079
methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 86315719
methyl 2-(8-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)acetate
CID 105496163
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
3-[(3R)-8-methoxy-1-oxo-3,4-dihydroisochromen-3-yl]propanoic acid
CID 156581341
2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017371
2-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)acetic acid
CID 117199204

Frequently Asked Questions

What is the IUPAC name of 2-(8'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetic acid?
The IUPAC name of 2-(8'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetic acid (CID 13491708) is 2-(8'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetic acid.
What is the SMILES notation for 2-(8'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetic acid?
The canonical SMILES for 2-(8'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetic acid is COc1cccc2c1CC(CC(=O)O)C1(C2)OCCO1.
What is the InChIKey of 2-(8'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetic acid?
The InChIKey is MLBMYIJDMHDCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-18-13-4-2-3-10-9-15(19-5-6-20-15)11(7-12(10)13)8-14(16)17/h2-4,11H,5-9H2,1H3,(H,16,17).
What are the key properties of 2-(8'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetic acid?
2-(8'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetic acid has a molecular weight of 278.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetic acid is sourced from PubChem (CID 13491708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).