2-(5-methyl-3,4-dihydronaphthalen-2-yl)propanoic acid

C14H16O2 — CID 105469803

IUPAC2-(5-methyl-3,4-dihydronaphthalen-2-yl)propanoic acid
SMILESCc1cccc2c1CCC(C(C)C(=O)O)=C2
InChIInChI=1S/C14H16O2/c1-9-4-3-5-12-8-11(6-7-13(9)12)10(2)14(15)16/h3-5,8,10H,6-7H2,1-2H3,(H,15,16)
InChIKeyRQXGQHMMEJIYOM-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.05
Rot. Bonds2

About 2-(5-methyl-3,4-dihydronaphthalen-2-yl)propanoic acid

2-(5-methyl-3,4-dihydronaphthalen-2-yl)propanoic acid (PubChem CID 105469803) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(5-methyl-3,4-dihydronaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-methyl-3,4-dihydronaphthalen-2-yl)propanoic acid
PubChem CID105469803
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-(5-methyl-3,4-dihydronaphthalen-2-yl)propanoic acid
SMILESCc1cccc2c1CCC(C(C)C(=O)O)=C2
InChIInChI=1S/C14H16O2/c1-9-4-3-5-12-8-11(6-7-13(9)12)10(2)14(15)16/h3-5,8,10H,6-7H2,1-2H3,(H,15,16)
InChIKeyRQXGQHMMEJIYOM-UHFFFAOYSA-N
XLogP3.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3,4-dihydronaphthalen-2-yl)propanoic acid?
The IUPAC name of 2-(5-methyl-3,4-dihydronaphthalen-2-yl)propanoic acid (CID 105469803) is 2-(5-methyl-3,4-dihydronaphthalen-2-yl)propanoic acid.
What is the SMILES notation for 2-(5-methyl-3,4-dihydronaphthalen-2-yl)propanoic acid?
The canonical SMILES for 2-(5-methyl-3,4-dihydronaphthalen-2-yl)propanoic acid is Cc1cccc2c1CCC(C(C)C(=O)O)=C2.
What is the InChIKey of 2-(5-methyl-3,4-dihydronaphthalen-2-yl)propanoic acid?
The InChIKey is RQXGQHMMEJIYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-9-4-3-5-12-8-11(6-7-13(9)12)10(2)14(15)16/h3-5,8,10H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(5-methyl-3,4-dihydronaphthalen-2-yl)propanoic acid?
2-(5-methyl-3,4-dihydronaphthalen-2-yl)propanoic acid has a molecular weight of 216.28 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3,4-dihydronaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 105469803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).