2-(8-acetylnaphthalen-2-yl)acetic acid;hydrochloride

C14H13ClO3 — CID 67842535

IUPAC2-(8-acetylnaphthalen-2-yl)acetic acid;hydrochloride
SMILESCC(=O)c1cccc2ccc(CC(=O)O)cc12.Cl
InChIInChI=1S/C14H12O3.ClH/c1-9(15)12-4-2-3-11-6-5-10(7-13(11)12)8-14(16)17;/h2-7H,8H2,1H3,(H,16,17);1H
InChIKeyCRGKLTKWIGDFBY-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.09
Rot. Bonds3

About 2-(8-acetylnaphthalen-2-yl)acetic acid;hydrochloride

2-(8-acetylnaphthalen-2-yl)acetic acid;hydrochloride (PubChem CID 67842535) has the molecular formula C14H13ClO3 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-(8-acetylnaphthalen-2-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(8-acetylnaphthalen-2-yl)acetic acid;hydrochloride
PubChem CID67842535
Molecular FormulaC14H13ClO3
Molecular Weight264.71 g/mol
Exact Mass264.06
IUPAC Name2-(8-acetylnaphthalen-2-yl)acetic acid;hydrochloride
SMILESCC(=O)c1cccc2ccc(CC(=O)O)cc12.Cl
InChIInChI=1S/C14H12O3.ClH/c1-9(15)12-4-2-3-11-6-5-10(7-13(11)12)8-14(16)17;/h2-7H,8H2,1H3,(H,16,17);1H
InChIKeyCRGKLTKWIGDFBY-UHFFFAOYSA-N
XLogP3.09
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-propan-2-ylnaphthalen-1-yl)ethanone
CID 14250513
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
2-(3-acetyl-2-methoxyphenyl)acetic acid
CID 175626652
2-(2-acetylnaphthalen-1-yl)acetic acid
CID 69135276
2-methylbenzene-1,3-dicarboxylic acid;1-naphthalen-1-ylethanone
CID 174493325
2-(6-methylnaphthalen-2-yl)acetic acid
CID 13199360
1-(6,7-dimethoxynaphthalen-1-yl)ethanone
CID 54066039
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
2-(2-acetyl-6-fluorophenyl)acetic acid
CID 121231894
1-(6-methylnaphthalen-1-yl)ethanone
CID 15563484
2-quinolin-7-ylacetic acid
CID 18675903

Frequently Asked Questions

What is the IUPAC name of 2-(8-acetylnaphthalen-2-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(8-acetylnaphthalen-2-yl)acetic acid;hydrochloride (CID 67842535) is 2-(8-acetylnaphthalen-2-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(8-acetylnaphthalen-2-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(8-acetylnaphthalen-2-yl)acetic acid;hydrochloride is CC(=O)c1cccc2ccc(CC(=O)O)cc12.Cl.
What is the InChIKey of 2-(8-acetylnaphthalen-2-yl)acetic acid;hydrochloride?
The InChIKey is CRGKLTKWIGDFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3.ClH/c1-9(15)12-4-2-3-11-6-5-10(7-13(11)12)8-14(16)17;/h2-7H,8H2,1H3,(H,16,17);1H.
What are the key properties of 2-(8-acetylnaphthalen-2-yl)acetic acid;hydrochloride?
2-(8-acetylnaphthalen-2-yl)acetic acid;hydrochloride has a molecular weight of 264.71 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-acetylnaphthalen-2-yl)acetic acid;hydrochloride is sourced from PubChem (CID 67842535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).