2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid

C15H18O2 — CID 117332749

IUPAC2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid
SMILESCc1ccc(C2(CC(=O)O)CC2)c2c1CCC2
InChIInChI=1S/C15H18O2/c1-10-5-6-13(12-4-2-3-11(10)12)15(7-8-15)9-14(16)17/h5-6H,2-4,7-9H2,1H3,(H,16,17)
InChIKeyAZSSOOJMMOONJA-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.99
Rot. Bonds3

About 2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid

2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid (PubChem CID 117332749) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid
PubChem CID117332749
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid
SMILESCc1ccc(C2(CC(=O)O)CC2)c2c1CCC2
InChIInChI=1S/C15H18O2/c1-10-5-6-13(12-4-2-3-11(10)12)15(7-8-15)9-14(16)17/h5-6H,2-4,7-9H2,1H3,(H,16,17)
InChIKeyAZSSOOJMMOONJA-UHFFFAOYSA-N
XLogP2.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid (CID 117332749) is 2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid is Cc1ccc(C2(CC(=O)O)CC2)c2c1CCC2.
What is the InChIKey of 2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid?
The InChIKey is AZSSOOJMMOONJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-10-5-6-13(12-4-2-3-11(10)12)15(7-8-15)9-14(16)17/h5-6H,2-4,7-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid?
2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid has a molecular weight of 230.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid is sourced from PubChem (CID 117332749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).