7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride

C12H17ClO — CID 19889857

IUPAC7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
SMILESCOc1ccc2c(c1)CC(C)CC2.Cl
InChIInChI=1S/C12H16O.ClH/c1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;/h5-6,8-9H,3-4,7H2,1-2H3;1H
InChIKeyRPMKDYUWWHDUPP-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.24
Rot. Bonds1

About 7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride

7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride (PubChem CID 19889857) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride.

Molecular Properties

Compound Name7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
PubChem CID19889857
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
SMILESCOc1ccc2c(c1)CC(C)CC2.Cl
InChIInChI=1S/C12H16O.ClH/c1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;/h5-6,8-9H,3-4,7H2,1-2H3;1H
InChIKeyRPMKDYUWWHDUPP-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 20500036
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
(2R,5R)-1-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2,5-dimethylpyrrolidine
CID 69028967
7-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510216
2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane
CID 145046662
2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 58840067
ethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 172615392
N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107597292
(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylazanium chloride
CID 11299819
7-methoxy-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510335
2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
CID 115511253
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride?
The IUPAC name of 7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride (CID 19889857) is 7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride.
What is the SMILES notation for 7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride?
The canonical SMILES for 7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride is COc1ccc2c(c1)CC(C)CC2.Cl.
What is the InChIKey of 7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride?
The InChIKey is RPMKDYUWWHDUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.ClH/c1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;/h5-6,8-9H,3-4,7H2,1-2H3;1H.
What are the key properties of 7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride?
7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride has a molecular weight of 212.72 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride is sourced from PubChem (CID 19889857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).