4-(6-methoxynaphthalen-2-yl)pentanoic acid

C16H18O3 — CID 113306207

IUPAC4-(6-methoxynaphthalen-2-yl)pentanoic acid
SMILESCOc1ccc2cc(C(C)CCC(=O)O)ccc2c1
InChIInChI=1S/C16H18O3/c1-11(3-8-16(17)18)12-4-5-14-10-15(19-2)7-6-13(14)9-12/h4-7,9-11H,3,8H2,1-2H3,(H,17,18)
InChIKeyPJMYVMWINIVQOG-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.82
Rot. Bonds5

About 4-(6-methoxynaphthalen-2-yl)pentanoic acid

4-(6-methoxynaphthalen-2-yl)pentanoic acid (PubChem CID 113306207) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(6-methoxynaphthalen-2-yl)pentanoic acid.

Molecular Properties

Compound Name4-(6-methoxynaphthalen-2-yl)pentanoic acid
PubChem CID113306207
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name4-(6-methoxynaphthalen-2-yl)pentanoic acid
SMILESCOc1ccc2cc(C(C)CCC(=O)O)ccc2c1
InChIInChI=1S/C16H18O3/c1-11(3-8-16(17)18)12-4-5-14-10-15(19-2)7-6-13(14)9-12/h4-7,9-11H,3,8H2,1-2H3,(H,17,18)
InChIKeyPJMYVMWINIVQOG-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid
CID 177255800
4-hydroxy-4-(4-methoxyphenyl)butanoic acid
CID 4193826
[(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate
CID 141195522
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
N-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]carbamate
CID 170991435
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene
CID 54435579
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
4-amino-4-(4-methoxyphenyl)butanoic acid;hydrochloride
CID 71757574
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxynaphthalen-2-yl)pentanoic acid?
The IUPAC name of 4-(6-methoxynaphthalen-2-yl)pentanoic acid (CID 113306207) is 4-(6-methoxynaphthalen-2-yl)pentanoic acid.
What is the SMILES notation for 4-(6-methoxynaphthalen-2-yl)pentanoic acid?
The canonical SMILES for 4-(6-methoxynaphthalen-2-yl)pentanoic acid is COc1ccc2cc(C(C)CCC(=O)O)ccc2c1.
What is the InChIKey of 4-(6-methoxynaphthalen-2-yl)pentanoic acid?
The InChIKey is PJMYVMWINIVQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-11(3-8-16(17)18)12-4-5-14-10-15(19-2)7-6-13(14)9-12/h4-7,9-11H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 4-(6-methoxynaphthalen-2-yl)pentanoic acid?
4-(6-methoxynaphthalen-2-yl)pentanoic acid has a molecular weight of 258.32 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxynaphthalen-2-yl)pentanoic acid is sourced from PubChem (CID 113306207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).