1-(methoxymethyl)-2,3-dihydro-1H-indene-4-carboxylic acid

C12H14O3 — CID 105458629

IUPAC1-(methoxymethyl)-2,3-dihydro-1H-indene-4-carboxylic acid
SMILESCOCC1CCc2c(C(=O)O)cccc21
InChIInChI=1S/C12H14O3/c1-15-7-8-5-6-10-9(8)3-2-4-11(10)12(13)14/h2-4,8H,5-7H2,1H3,(H,13,14)
InChIKeyXXJQTPOOOMQRNR-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.06
Rot. Bonds3

About 1-(methoxymethyl)-2,3-dihydro-1H-indene-4-carboxylic acid

1-(methoxymethyl)-2,3-dihydro-1H-indene-4-carboxylic acid (PubChem CID 105458629) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-(methoxymethyl)-2,3-dihydro-1H-indene-4-carboxylic acid.

Molecular Properties

Compound Name1-(methoxymethyl)-2,3-dihydro-1H-indene-4-carboxylic acid
PubChem CID105458629
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name1-(methoxymethyl)-2,3-dihydro-1H-indene-4-carboxylic acid
SMILESCOCC1CCc2c(C(=O)O)cccc21
InChIInChI=1S/C12H14O3/c1-15-7-8-5-6-10-9(8)3-2-4-11(10)12(13)14/h2-4,8H,5-7H2,1H3,(H,13,14)
InChIKeyXXJQTPOOOMQRNR-UHFFFAOYSA-N
XLogP2.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate
CID 124673429
5-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 105458622
1-(tert-butylamino)-2,3-dihydro-1H-indene-4-carboxylic acid
CID 105493193
methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate
CID 59505387
methyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate
CID 131278593
3-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methylbenzoic acid
CID 167888085
5-(ethylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 105474285
3-cyclopropyl-2-methoxybenzoic acid
CID 69106312
2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid
CID 129496688
2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid
CID 63971544
(1R)-1-amino-2,3-dihydro-1H-indene-4-carboxamide
CID 130682508
[(1R)-2,3-dihydro-1H-inden-1-yl]methyl acetate
CID 129405873

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-2,3-dihydro-1H-indene-4-carboxylic acid?
The IUPAC name of 1-(methoxymethyl)-2,3-dihydro-1H-indene-4-carboxylic acid (CID 105458629) is 1-(methoxymethyl)-2,3-dihydro-1H-indene-4-carboxylic acid.
What is the SMILES notation for 1-(methoxymethyl)-2,3-dihydro-1H-indene-4-carboxylic acid?
The canonical SMILES for 1-(methoxymethyl)-2,3-dihydro-1H-indene-4-carboxylic acid is COCC1CCc2c(C(=O)O)cccc21.
What is the InChIKey of 1-(methoxymethyl)-2,3-dihydro-1H-indene-4-carboxylic acid?
The InChIKey is XXJQTPOOOMQRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-15-7-8-5-6-10-9(8)3-2-4-11(10)12(13)14/h2-4,8H,5-7H2,1H3,(H,13,14).
What are the key properties of 1-(methoxymethyl)-2,3-dihydro-1H-indene-4-carboxylic acid?
1-(methoxymethyl)-2,3-dihydro-1H-indene-4-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-2,3-dihydro-1H-indene-4-carboxylic acid is sourced from PubChem (CID 105458629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).