2-(1-methoxyinden-1-yl)acetic acid

C12H12O3 — CID 13445754

IUPAC2-(1-methoxyinden-1-yl)acetic acid
SMILESCOC1(CC(=O)O)C=Cc2ccccc21
InChIInChI=1S/C12H12O3/c1-15-12(8-11(13)14)7-6-9-4-2-3-5-10(9)12/h2-7H,8H2,1H3,(H,13,14)
InChIKeyCJHSNAOXTYUQNI-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.03
Rot. Bonds3

About 2-(1-methoxyinden-1-yl)acetic acid

2-(1-methoxyinden-1-yl)acetic acid (PubChem CID 13445754) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-(1-methoxyinden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methoxyinden-1-yl)acetic acid
PubChem CID13445754
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name2-(1-methoxyinden-1-yl)acetic acid
SMILESCOC1(CC(=O)O)C=Cc2ccccc21
InChIInChI=1S/C12H12O3/c1-15-12(8-11(13)14)7-6-9-4-2-3-5-10(9)12/h2-7H,8H2,1H3,(H,13,14)
InChIKeyCJHSNAOXTYUQNI-UHFFFAOYSA-N
XLogP2.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-methylbenzo[7]annulen-7-yl)acetic acid
CID 147570229
1-methoxyinden-1-ol
CID 22755553
lithium 1-(1-phenylethyl)indene-1-carboxylate
CID 175033026
2-(1-methoxy-2-nitro-4-phenylcyclohexa-2,5-dien-1-yl)acetic acid
CID 70029586
methyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate
CID 90362386
ethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate
CID 6455154
2-(1-hydroxyinden-1-yl)ethyl acetate
CID 175294687
2-(2-amino-1H-naphthalen-2-yl)acetic acid
CID 66609236
2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid
CID 134096624
2-[1-[2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787394
methyl 2-oxo-1-(2-phenylprop-2-enyl)naphthalene-1-carboxylate
CID 135069375
[2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol
CID 18626557

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyinden-1-yl)acetic acid?
The IUPAC name of 2-(1-methoxyinden-1-yl)acetic acid (CID 13445754) is 2-(1-methoxyinden-1-yl)acetic acid.
What is the SMILES notation for 2-(1-methoxyinden-1-yl)acetic acid?
The canonical SMILES for 2-(1-methoxyinden-1-yl)acetic acid is COC1(CC(=O)O)C=Cc2ccccc21.
What is the InChIKey of 2-(1-methoxyinden-1-yl)acetic acid?
The InChIKey is CJHSNAOXTYUQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-15-12(8-11(13)14)7-6-9-4-2-3-5-10(9)12/h2-7H,8H2,1H3,(H,13,14).
What are the key properties of 2-(1-methoxyinden-1-yl)acetic acid?
2-(1-methoxyinden-1-yl)acetic acid has a molecular weight of 204.22 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyinden-1-yl)acetic acid is sourced from PubChem (CID 13445754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).