2-(6-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid

C14H16O2 — CID 105469805

IUPAC2-(6-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid
SMILESCc1ccc2c(c1)CCC=C2C(C)C(=O)O
InChIInChI=1S/C14H16O2/c1-9-6-7-13-11(8-9)4-3-5-12(13)10(2)14(15)16/h5-8,10H,3-4H2,1-2H3,(H,15,16)
InChIKeyFXGXBECZSRSENI-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.05
Rot. Bonds2

About 2-(6-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid

2-(6-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid (PubChem CID 105469805) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(6-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid
PubChem CID105469805
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-(6-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid
SMILESCc1ccc2c(c1)CCC=C2C(C)C(=O)O
InChIInChI=1S/C14H16O2/c1-9-6-7-13-11(8-9)4-3-5-12(13)10(2)14(15)16/h5-8,10H,3-4H2,1-2H3,(H,15,16)
InChIKeyFXGXBECZSRSENI-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

Analyze 2-(6-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-methyl-3H-inden-1-yl)propanoic acid
CID 105454291
7-methyl-3,4-dihydronaphthalene-1-carboxylic acid
CID 82075337
2,7-dimethyl-9,10-dihydrophenanthrene
CID 23550290
7-methyl-4-propyl-1,2-dihydronaphthalene
CID 145183913
3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene
CID 21042275
5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 23561339
8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58407165
2-methylpropanoic acid;1,4-xylene
CID 142846820
2-methyl-2-(5-methyl-3H-inden-1-yl)propanoic acid
CID 105469815
6-methyl-3-methylidene-1,2-dihydroindene
CID 58380222
4-(3-chloro-4-methylphenyl)sulfinyl-7-methyl-1,2-dihydronaphthalene
CID 166668898
2-(3,4-dihydronaphthalen-1-yl)propyl benzoate
CID 12045245

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid?
The IUPAC name of 2-(6-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid (CID 105469805) is 2-(6-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid.
What is the SMILES notation for 2-(6-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid?
The canonical SMILES for 2-(6-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid is Cc1ccc2c(c1)CCC=C2C(C)C(=O)O.
What is the InChIKey of 2-(6-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid?
The InChIKey is FXGXBECZSRSENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-9-6-7-13-11(8-9)4-3-5-12(13)10(2)14(15)16/h5-8,10H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-(6-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid?
2-(6-methyl-3,4-dihydronaphthalen-1-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-(6-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid is sourced from PubChem (CID 105469805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).