(2S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid

C13H12O3 — CID 13393711

IUPAC(2S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid
SMILESC[C@H](C(=O)O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C13H12O3/c1-8(13(15)16)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-8,14H,1H3,(H,15,16)/t8-/m0/s1
InChIKeyXWJUDDGELKXYNO-QMMMGPOBSA-N
MW216.24 g/mol
LogP2.73
Rot. Bonds2

About (2S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid

(2S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid (PubChem CID 13393711) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid
PubChem CID13393711
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name(2S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid
SMILESC[C@H](C(=O)O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C13H12O3/c1-8(13(15)16)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-8,14H,1H3,(H,15,16)/t8-/m0/s1
InChIKeyXWJUDDGELKXYNO-QMMMGPOBSA-N
XLogP2.73
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid?
The IUPAC name of (2S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid (CID 13393711) is (2S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid?
The canonical SMILES for (2S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid is C[C@H](C(=O)O)c1ccc2cc(O)ccc2c1.
What is the InChIKey of (2S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid?
The InChIKey is XWJUDDGELKXYNO-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H12O3/c1-8(13(15)16)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-8,14H,1H3,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid?
(2S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid has a molecular weight of 216.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 13393711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).