3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid

C18H22O3 — CID 10599

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IUPAC3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid
SMILESCCC(c1ccc2cc(OC)ccc2c1)C(C)(C)C(=O)O
InChIInChI=1S/C18H22O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h6-11,16H,5H2,1-4H3,(H,19,20)
InChIKeyKHLJKRBMZVNZOC-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.45
Rot. Bonds5

About 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid

3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid (PubChem CID 10599) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid
PubChem CID10599
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid
SMILESCCC(c1ccc2cc(OC)ccc2c1)C(C)(C)C(=O)O
InChIInChI=1S/C18H22O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h6-11,16H,5H2,1-4H3,(H,19,20)
InChIKeyKHLJKRBMZVNZOC-UHFFFAOYSA-N
XLogP4.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate
CID 21354872
2-ethyl-2-hydroxy-3-(6-methoxynaphthalen-2-yl)butanoic acid
CID 79304708
(3R)-3-(3-methoxyphenyl)-2,2-dimethylhexanedioic acid
CID 7056874
4-(6-methoxynaphthalen-2-yl)pentanoic acid
CID 113306207
1,1-diethoxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 141165174
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
3-ethoxy-2-(6-methoxynaphthalen-2-yl)-3-oxopropanoic acid
CID 139774449
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(2-methylbutan-2-yl)propanamide
CID 54790218
1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 57010651
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid?
The IUPAC name of 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid (CID 10599) is 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid.
What is the SMILES notation for 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid?
The canonical SMILES for 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid is CCC(c1ccc2cc(OC)ccc2c1)C(C)(C)C(=O)O.
What is the InChIKey of 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid?
The InChIKey is KHLJKRBMZVNZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h6-11,16H,5H2,1-4H3,(H,19,20).
What are the key properties of 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid?
3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid is sourced from PubChem (CID 10599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).