[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride

C13H14ClNO2 — CID 141138578

IUPAC[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride
SMILESCOc1ccc2cc(C(=O)C[NH3+])ccc2c1.[Cl-]
InChIInChI=1S/C13H13NO2.ClH/c1-16-12-5-4-9-6-11(13(15)8-14)3-2-10(9)7-12;/h2-7H,8,14H2,1H3;1H
InChIKeyHPHQDKUXDPTLOH-UHFFFAOYSA-N
MW251.71 g/mol
LogP-1.72
Rot. Bonds3

About [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride

[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride (PubChem CID 141138578) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride.

Molecular Properties

Compound Name[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride
PubChem CID141138578
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride
SMILESCOc1ccc2cc(C(=O)C[NH3+])ccc2c1.[Cl-]
InChIInChI=1S/C13H13NO2.ClH/c1-16-12-5-4-9-6-11(13(15)8-14)3-2-10(9)7-12;/h2-7H,8,14H2,1H3;1H
InChIKeyHPHQDKUXDPTLOH-UHFFFAOYSA-N
XLogP-1.72
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 5-1.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione
CID 10793824
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one
CID 146007341
4-(6-methoxynaphthalen-2-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298740
[2-(3,4-dimethoxyphenyl)-2-oxoethyl]azanium chloride
CID 16740542
3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 2751547
1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
CID 608289
2-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]sulfanylacetic acid
CID 146004513
1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)ethanone
CID 135061178
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
CID 63491322
2-(4,5-dihydro-1H-imidazol-2-yl)-1-(6-methoxynaphthalen-2-yl)ethanone
CID 116826241

Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride?
The IUPAC name of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride (CID 141138578) is [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride.
What is the SMILES notation for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride?
The canonical SMILES for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride is COc1ccc2cc(C(=O)C[NH3+])ccc2c1.[Cl-].
What is the InChIKey of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride?
The InChIKey is HPHQDKUXDPTLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2.ClH/c1-16-12-5-4-9-6-11(13(15)8-14)3-2-10(9)7-12;/h2-7H,8,14H2,1H3;1H.
What are the key properties of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride?
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride has a molecular weight of 251.71 g/mol, XLogP of -1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride is sourced from PubChem (CID 141138578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).