4-methyl-2-naphthalen-2-ylpentanoic acid

C16H18O2 — CID 54477032

IUPAC4-methyl-2-naphthalen-2-ylpentanoic acid
SMILESCC(C)CC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C16H18O2/c1-11(2)9-15(16(17)18)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15H,9H2,1-2H3,(H,17,18)
InChIKeyXMHSDHNTGVZONE-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.05
Rot. Bonds4

About 4-methyl-2-naphthalen-2-ylpentanoic acid

4-methyl-2-naphthalen-2-ylpentanoic acid (PubChem CID 54477032) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-methyl-2-naphthalen-2-ylpentanoic acid.

Molecular Properties

Compound Name4-methyl-2-naphthalen-2-ylpentanoic acid
PubChem CID54477032
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name4-methyl-2-naphthalen-2-ylpentanoic acid
SMILESCC(C)CC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C16H18O2/c1-11(2)9-15(16(17)18)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15H,9H2,1-2H3,(H,17,18)
InChIKeyXMHSDHNTGVZONE-UHFFFAOYSA-N
XLogP4.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-naphthalen-2-ylbutanoic acid
CID 27266
2-[[carboxy(naphthalen-2-yl)methyl]amino]-4-methylpentanoic acid
CID 22144227
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
CID 171201317
4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid
CID 18070230
2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid
CID 65072356
(2R)-2-naphthalen-2-ylpropanamide
CID 101175106
2-(3,5-difluorophenyl)-4-methylpentanoic acid
CID 82081315
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-2-amine
CID 43371937
(2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid
CID 102164167
2-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid
CID 112518760

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-naphthalen-2-ylpentanoic acid?
The IUPAC name of 4-methyl-2-naphthalen-2-ylpentanoic acid (CID 54477032) is 4-methyl-2-naphthalen-2-ylpentanoic acid.
What is the SMILES notation for 4-methyl-2-naphthalen-2-ylpentanoic acid?
The canonical SMILES for 4-methyl-2-naphthalen-2-ylpentanoic acid is CC(C)CC(C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 4-methyl-2-naphthalen-2-ylpentanoic acid?
The InChIKey is XMHSDHNTGVZONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-11(2)9-15(16(17)18)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15H,9H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-2-naphthalen-2-ylpentanoic acid?
4-methyl-2-naphthalen-2-ylpentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-naphthalen-2-ylpentanoic acid is sourced from PubChem (CID 54477032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).