2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-2-hydroxypentanoic acid

C17H24O3 — CID 83051372

IUPAC2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-2-hydroxypentanoic acid
SMILESCCCC(O)(C(=O)O)C1CCC(C)(C)c2ccccc21
InChIInChI=1S/C17H24O3/c1-4-10-17(20,15(18)19)14-9-11-16(2,3)13-8-6-5-7-12(13)14/h5-8,14,20H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyAODXXLVRJDGSMG-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.46
Rot. Bonds4

About 2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-2-hydroxypentanoic acid

2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-2-hydroxypentanoic acid (PubChem CID 83051372) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-2-hydroxypentanoic acid.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-2-hydroxypentanoic acid
PubChem CID83051372
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-2-hydroxypentanoic acid
SMILESCCCC(O)(C(=O)O)C1CCC(C)(C)c2ccccc21
InChIInChI=1S/C17H24O3/c1-4-10-17(20,15(18)19)14-9-11-16(2,3)13-8-6-5-7-12(13)14/h5-8,14,20H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyAODXXLVRJDGSMG-UHFFFAOYSA-N
XLogP3.46
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-2-hydroxypentanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-2-hydroxypentanoic acid?
The IUPAC name of 2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-2-hydroxypentanoic acid (CID 83051372) is 2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-2-hydroxypentanoic acid.
What is the SMILES notation for 2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-2-hydroxypentanoic acid?
The canonical SMILES for 2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-2-hydroxypentanoic acid is CCCC(O)(C(=O)O)C1CCC(C)(C)c2ccccc21.
What is the InChIKey of 2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-2-hydroxypentanoic acid?
The InChIKey is AODXXLVRJDGSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-4-10-17(20,15(18)19)14-9-11-16(2,3)13-8-6-5-7-12(13)14/h5-8,14,20H,4,9-11H2,1-3H3,(H,18,19).
What are the key properties of 2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-2-hydroxypentanoic acid?
2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-2-hydroxypentanoic acid has a molecular weight of 276.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-2-hydroxypentanoic acid is sourced from PubChem (CID 83051372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).