(2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid

C12H9BrO3 — CID 131393166

IUPAC(2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid
SMILESO=C(O)[C@H](O)c1ccc(Br)c2ccccc12
InChIInChI=1S/C12H9BrO3/c13-10-6-5-9(11(14)12(15)16)7-3-1-2-4-8(7)10/h1-6,11,14H,(H,15,16)/t11-/m1/s1
InChIKeyCWQRYTQGUFAIAV-LLVKDONJSA-N
MW281.11 g/mol
LogP2.72
Rot. Bonds2

About (2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid

(2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid (PubChem CID 131393166) has the molecular formula C12H9BrO3 and a molecular weight of 281.11 g/mol. Its IUPAC name is (2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid
PubChem CID131393166
Molecular FormulaC12H9BrO3
Molecular Weight281.11 g/mol
Exact Mass279.97
IUPAC Name(2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid
SMILESO=C(O)[C@H](O)c1ccc(Br)c2ccccc12
InChIInChI=1S/C12H9BrO3/c13-10-6-5-9(11(14)12(15)16)7-3-1-2-4-8(7)10/h1-6,11,14H,(H,15,16)/t11-/m1/s1
InChIKeyCWQRYTQGUFAIAV-LLVKDONJSA-N
XLogP2.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid
CID 131510376
2-(4-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117443520
2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid
CID 117420924
2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117447207
1-(4-bromonaphthalen-1-yl)propan-1-ol
CID 79597638
1,4-dibromonaphthalene
CID 162208061
2-(3-bromo-1-benzofuran-7-yl)-2-hydroxyacetic acid
CID 117430171
2-(4-bromo-2-fluoro-3-iodophenyl)-2-hydroxyacetic acid
CID 171001481
2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131307202
2-(5-bromo-2,3-dihydro-1,4-benzodioxin-8-yl)-2-hydroxyacetic acid
CID 117466609
1-(4-bromonaphthalen-1-yl)-4-methylpentan-1-ol
CID 79597706
(4-bromonaphthalen-1-yl)-cyclohexylmethanol
CID 79596872

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid?
The IUPAC name of (2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid (CID 131393166) is (2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid.
What is the SMILES notation for (2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid?
The canonical SMILES for (2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid is O=C(O)[C@H](O)c1ccc(Br)c2ccccc12.
What is the InChIKey of (2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid?
The InChIKey is CWQRYTQGUFAIAV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H9BrO3/c13-10-6-5-9(11(14)12(15)16)7-3-1-2-4-8(7)10/h1-6,11,14H,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid?
(2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid has a molecular weight of 281.11 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 131393166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).