2-(1-methoxy-6-methyl-2,3-dihydroinden-1-yl)acetic acid

C13H16O3 — CID 105475631

IUPAC2-(1-methoxy-6-methyl-2,3-dihydroinden-1-yl)acetic acid
SMILESCOC1(CC(=O)O)CCc2ccc(C)cc21
InChIInChI=1S/C13H16O3/c1-9-3-4-10-5-6-13(16-2,8-12(14)15)11(10)7-9/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyZQHZHUYFWLXDIB-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.26
Rot. Bonds3

About 2-(1-methoxy-6-methyl-2,3-dihydroinden-1-yl)acetic acid

2-(1-methoxy-6-methyl-2,3-dihydroinden-1-yl)acetic acid (PubChem CID 105475631) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(1-methoxy-6-methyl-2,3-dihydroinden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methoxy-6-methyl-2,3-dihydroinden-1-yl)acetic acid
PubChem CID105475631
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-(1-methoxy-6-methyl-2,3-dihydroinden-1-yl)acetic acid
SMILESCOC1(CC(=O)O)CCc2ccc(C)cc21
InChIInChI=1S/C13H16O3/c1-9-3-4-10-5-6-13(16-2,8-12(14)15)11(10)7-9/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyZQHZHUYFWLXDIB-UHFFFAOYSA-N
XLogP2.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid
CID 105497580
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid
CID 82082492
ethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 174154255
1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908725
methyl (5-methyl-3,3'-spirobi[1,2-dihydroindene]-5'-yl) carbonate
CID 58999397
methyl 2-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-2-methylpropanoate
CID 11086513
2-(1,5,7-trimethyl-2,3-dihydroinden-1-yl)acetic acid
CID 82158629
2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid
CID 65498044
2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 68638275
2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid
CID 84812580
ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid
CID 170751280

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-6-methyl-2,3-dihydroinden-1-yl)acetic acid?
The IUPAC name of 2-(1-methoxy-6-methyl-2,3-dihydroinden-1-yl)acetic acid (CID 105475631) is 2-(1-methoxy-6-methyl-2,3-dihydroinden-1-yl)acetic acid.
What is the SMILES notation for 2-(1-methoxy-6-methyl-2,3-dihydroinden-1-yl)acetic acid?
The canonical SMILES for 2-(1-methoxy-6-methyl-2,3-dihydroinden-1-yl)acetic acid is COC1(CC(=O)O)CCc2ccc(C)cc21.
What is the InChIKey of 2-(1-methoxy-6-methyl-2,3-dihydroinden-1-yl)acetic acid?
The InChIKey is ZQHZHUYFWLXDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-9-3-4-10-5-6-13(16-2,8-12(14)15)11(10)7-9/h3-4,7H,5-6,8H2,1-2H3,(H,14,15).
What are the key properties of 2-(1-methoxy-6-methyl-2,3-dihydroinden-1-yl)acetic acid?
2-(1-methoxy-6-methyl-2,3-dihydroinden-1-yl)acetic acid has a molecular weight of 220.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-6-methyl-2,3-dihydroinden-1-yl)acetic acid is sourced from PubChem (CID 105475631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).