2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid

C16H18O3 — CID 65248421

IUPAC2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid
SMILESCC(C)(CCOc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C16H18O3/c1-16(2,15(17)18)9-10-19-14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,9-10H2,1-2H3,(H,17,18)
InChIKeyQBWVUHSNTVQPGO-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.72
Rot. Bonds5

About 2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid

2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid (PubChem CID 65248421) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid
PubChem CID65248421
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid
SMILESCC(C)(CCOc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C16H18O3/c1-16(2,15(17)18)9-10-19-14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,9-10H2,1-2H3,(H,17,18)
InChIKeyQBWVUHSNTVQPGO-UHFFFAOYSA-N
XLogP3.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-naphthalen-2-yloxybutan-2-amine
CID 10561404
4-(4-bromo-3-fluorophenoxy)-2,2-dimethylbutanoic acid
CID 65248321
2,2-dimethyl-5-naphthalen-2-yloxypentanethioamide
CID 65259756
2-methyl-2-[[1-(2-naphthalen-2-yloxyethoxy)naphthalene-2-carbonyl]amino]propanoic acid
CID 24768906
2-methyl-4-naphthalen-2-yloxy-2-phenylbutanenitrile
CID 82138838
2-(2-naphthalen-2-yloxyethoxy)ethyl 4,4-dimethylpentanoate
CID 148869293
2,2-dimethyl-4-(2-methylphenoxy)butanoic acid
CID 65248196
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
6-(3,4-dimethylphenoxy)-2,2-dimethylhexanoic acid
CID 106714252
4-(3-fluoro-4-nitrophenoxy)-2,2-dimethylbutanoic acid
CID 65247608
(4-anthracen-2-yloxy-2-methylbutan-2-yl) prop-2-enoate
CID 59482774
N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide
CID 77063288

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid?
The IUPAC name of 2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid (CID 65248421) is 2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid is CC(C)(CCOc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid?
The InChIKey is QBWVUHSNTVQPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-16(2,15(17)18)9-10-19-14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,9-10H2,1-2H3,(H,17,18).
What are the key properties of 2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid?
2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid has a molecular weight of 258.32 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid is sourced from PubChem (CID 65248421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).