3-methyl-3-naphthalen-1-yloxybutanoic acid

C15H16O3 — CID 82085420

IUPAC3-methyl-3-naphthalen-1-yloxybutanoic acid
SMILESCC(C)(CC(=O)O)Oc1cccc2ccccc12
InChIInChI=1S/C15H16O3/c1-15(2,10-14(16)17)18-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,10H2,1-2H3,(H,16,17)
InChIKeyFUBTWURNMATMFI-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.47
Rot. Bonds4

About 3-methyl-3-naphthalen-1-yloxybutanoic acid

3-methyl-3-naphthalen-1-yloxybutanoic acid (PubChem CID 82085420) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-methyl-3-naphthalen-1-yloxybutanoic acid.

Molecular Properties

Compound Name3-methyl-3-naphthalen-1-yloxybutanoic acid
PubChem CID82085420
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name3-methyl-3-naphthalen-1-yloxybutanoic acid
SMILESCC(C)(CC(=O)O)Oc1cccc2ccccc12
InChIInChI=1S/C15H16O3/c1-15(2,10-14(16)17)18-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,10H2,1-2H3,(H,16,17)
InChIKeyFUBTWURNMATMFI-UHFFFAOYSA-N
XLogP3.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-(2-methylphenoxy)butanoic acid
CID 82077638
3-(2-tert-butylphenoxy)-3-methylbutanoic acid
CID 82087447
1-(1-naphthalen-1-yloxy-1-phenylethoxy)naphthalene
CID 139725351
3-methyl-3-naphthalen-1-ylbutanoic acid
CID 79020311
3-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanoic acid
CID 82086855
3-hydroxy-3-naphthalen-1-ylbutanoic acid
CID 598604
naphthalen-1-yl 2-amino-2-methylpropanoate
CID 70178534
N-tert-butyl-2-naphthalen-1-yloxyacetamide
CID 954544
1-[dibromo(methoxy)methoxy]naphthalene
CID 168966403
1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxynaphthalene
CID 118217383
2-methyl-2-(naphthalen-1-ylmethyl)butanedioic acid
CID 19928713
1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one
CID 23002016

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-naphthalen-1-yloxybutanoic acid?
The IUPAC name of 3-methyl-3-naphthalen-1-yloxybutanoic acid (CID 82085420) is 3-methyl-3-naphthalen-1-yloxybutanoic acid.
What is the SMILES notation for 3-methyl-3-naphthalen-1-yloxybutanoic acid?
The canonical SMILES for 3-methyl-3-naphthalen-1-yloxybutanoic acid is CC(C)(CC(=O)O)Oc1cccc2ccccc12.
What is the InChIKey of 3-methyl-3-naphthalen-1-yloxybutanoic acid?
The InChIKey is FUBTWURNMATMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-15(2,10-14(16)17)18-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,10H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-3-naphthalen-1-yloxybutanoic acid?
3-methyl-3-naphthalen-1-yloxybutanoic acid has a molecular weight of 244.29 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-naphthalen-1-yloxybutanoic acid is sourced from PubChem (CID 82085420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).