2-methyl-2-(5-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid

C15H18O2 — CID 105488183

IUPAC2-methyl-2-(5-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid
SMILESCc1cccc2c1CCC=C2C(C)(C)C(=O)O
InChIInChI=1S/C15H18O2/c1-10-6-4-8-12-11(10)7-5-9-13(12)15(2,3)14(16)17/h4,6,8-9H,5,7H2,1-3H3,(H,16,17)
InChIKeyAKUSETSNHBNTSA-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.44
Rot. Bonds2

About 2-methyl-2-(5-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid

2-methyl-2-(5-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid (PubChem CID 105488183) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-2-(5-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(5-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid
PubChem CID105488183
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2-methyl-2-(5-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid
SMILESCc1cccc2c1CCC=C2C(C)(C)C(=O)O
InChIInChI=1S/C15H18O2/c1-10-6-4-8-12-11(10)7-5-9-13(12)15(2,3)14(16)17/h4,6,8-9H,5,7H2,1-3H3,(H,16,17)
InChIKeyAKUSETSNHBNTSA-UHFFFAOYSA-N
XLogP3.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-hydroxy-3,4-dihydronaphthalen-1-yl)-2-methylpropanoic acid
CID 105490846
5-(2-aminopropan-2-yl)-7,8-dihydronaphthalen-1-ol
CID 105455598
1-tert-butyl-5-methyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057879
1,8-dimethyl-9,10-dihydrophenanthrene
CID 142741487
3-tert-butyl-7-methyl-1H-indene
CID 159200998
2-methyl-2-(8-methyl-3,4-dihydronaphthalen-2-yl)propanoic acid
CID 105488188
(2E)-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetic acid
CID 22724617
2-[4-(2,3-dimethylphenyl)phenyl]-2-methylpropanoic acid
CID 82092597
2-methyl-2-(4-methyl-1H-inden-2-yl)propanoic acid
CID 105469810
2-methyl-2-(5-methyl-3H-inden-1-yl)propanoic acid
CID 105469815
2-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid
CID 84733376
5-methyl-3,4-dihydro-2H-isoquinoline-1-thione
CID 19802541

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(5-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid (CID 105488183) is 2-methyl-2-(5-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(5-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(5-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid is Cc1cccc2c1CCC=C2C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(5-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid?
The InChIKey is AKUSETSNHBNTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-10-6-4-8-12-11(10)7-5-9-13(12)15(2,3)14(16)17/h4,6,8-9H,5,7H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-2-(5-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid?
2-methyl-2-(5-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid has a molecular weight of 230.31 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid is sourced from PubChem (CID 105488183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).