(2R)-2-(6-methoxynaphthalen-2-yl)butanoic acid

C15H16O3 — CID 66706413

IUPAC(2R)-2-(6-methoxynaphthalen-2-yl)butanoic acid
SMILESCC[C@@H](C(=O)O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C15H16O3/c1-3-14(15(16)17)12-5-4-11-9-13(18-2)7-6-10(11)8-12/h4-9,14H,3H2,1-2H3,(H,16,17)/t14-/m1/s1
InChIKeyLSDAHSHHKKHOKE-CQSZACIVSA-N
MW244.29 g/mol
LogP3.43
Rot. Bonds4

About (2R)-2-(6-methoxynaphthalen-2-yl)butanoic acid

(2R)-2-(6-methoxynaphthalen-2-yl)butanoic acid (PubChem CID 66706413) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2R)-2-(6-methoxynaphthalen-2-yl)butanoic acid.

Molecular Properties

Compound Name(2R)-2-(6-methoxynaphthalen-2-yl)butanoic acid
PubChem CID66706413
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(2R)-2-(6-methoxynaphthalen-2-yl)butanoic acid
SMILESCC[C@@H](C(=O)O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C15H16O3/c1-3-14(15(16)17)12-5-4-11-9-13(18-2)7-6-10(11)8-12/h4-9,14H,3H2,1-2H3,(H,16,17)/t14-/m1/s1
InChIKeyLSDAHSHHKKHOKE-CQSZACIVSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-methoxynaphthalen-2-yl)butanoic acid?
The IUPAC name of (2R)-2-(6-methoxynaphthalen-2-yl)butanoic acid (CID 66706413) is (2R)-2-(6-methoxynaphthalen-2-yl)butanoic acid.
What is the SMILES notation for (2R)-2-(6-methoxynaphthalen-2-yl)butanoic acid?
The canonical SMILES for (2R)-2-(6-methoxynaphthalen-2-yl)butanoic acid is CC[C@@H](C(=O)O)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of (2R)-2-(6-methoxynaphthalen-2-yl)butanoic acid?
The InChIKey is LSDAHSHHKKHOKE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16O3/c1-3-14(15(16)17)12-5-4-11-9-13(18-2)7-6-10(11)8-12/h4-9,14H,3H2,1-2H3,(H,16,17)/t14-/m1/s1.
What are the key properties of (2R)-2-(6-methoxynaphthalen-2-yl)butanoic acid?
(2R)-2-(6-methoxynaphthalen-2-yl)butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-methoxynaphthalen-2-yl)butanoic acid is sourced from PubChem (CID 66706413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).