2-(2,7-dimethyl-3H-inden-1-yl)acetic acid

C13H14O2 — CID 175914282

IUPAC2-(2,7-dimethyl-3H-inden-1-yl)acetic acid
SMILESCC1=C(CC(=O)O)c2c(C)cccc2C1
InChIInChI=1S/C13H14O2/c1-8-4-3-5-10-6-9(2)11(13(8)10)7-12(14)15/h3-5H,6-7H2,1-2H3,(H,14,15)
InChIKeyCQIKJDHSKYIYNT-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.80
Rot. Bonds2

About 2-(2,7-dimethyl-3H-inden-1-yl)acetic acid

2-(2,7-dimethyl-3H-inden-1-yl)acetic acid (PubChem CID 175914282) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(2,7-dimethyl-3H-inden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,7-dimethyl-3H-inden-1-yl)acetic acid
PubChem CID175914282
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name2-(2,7-dimethyl-3H-inden-1-yl)acetic acid
SMILESCC1=C(CC(=O)O)c2c(C)cccc2C1
InChIInChI=1S/C13H14O2/c1-8-4-3-5-10-6-9(2)11(13(8)10)7-12(14)15/h3-5H,6-7H2,1-2H3,(H,14,15)
InChIKeyCQIKJDHSKYIYNT-UHFFFAOYSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(7-methoxy-2-methyl-3H-inden-1-yl)acetic acid
CID 22007114
4,5-dimethyl-9H-fluorene
CID 14389533
2-(5-fluoro-2-methyl-3H-inden-1-yl)acetic acid
CID 149279625
2-(2-methylphenyl)acetic acid
CID 67440217
2-(6-methyl-7H-cyclopenta[b]pyridin-5-yl)acetic acid
CID 162462180
2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid
CID 82578908
4-fluoro-5-methyl-9H-fluorene
CID 23235354
dichloromethane;2-(2-methylphenyl)acetic acid
CID 174962889
2-(2-bromo-6-methylphenyl)acetic acid
CID 84736031
2-(2,3-dihydro-1H-inden-4-yl)acetic acid
CID 15212214
fluoro 2-(2-methyl-3H-inden-1-yl)acetate
CID 174855642
3-butyl-4-methyl-2-(4-methylphenyl)-1H-indene
CID 102158163

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethyl-3H-inden-1-yl)acetic acid?
The IUPAC name of 2-(2,7-dimethyl-3H-inden-1-yl)acetic acid (CID 175914282) is 2-(2,7-dimethyl-3H-inden-1-yl)acetic acid.
What is the SMILES notation for 2-(2,7-dimethyl-3H-inden-1-yl)acetic acid?
The canonical SMILES for 2-(2,7-dimethyl-3H-inden-1-yl)acetic acid is CC1=C(CC(=O)O)c2c(C)cccc2C1.
What is the InChIKey of 2-(2,7-dimethyl-3H-inden-1-yl)acetic acid?
The InChIKey is CQIKJDHSKYIYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-8-4-3-5-10-6-9(2)11(13(8)10)7-12(14)15/h3-5H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-(2,7-dimethyl-3H-inden-1-yl)acetic acid?
2-(2,7-dimethyl-3H-inden-1-yl)acetic acid has a molecular weight of 202.25 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dimethyl-3H-inden-1-yl)acetic acid is sourced from PubChem (CID 175914282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).