1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene

C13H17ClO — CID 79725548

IUPAC1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc2c(c1)C(Cl)C(C)C(C)C2
InChIInChI=1S/C13H17ClO/c1-8-6-10-4-5-11(15-3)7-12(10)13(14)9(8)2/h4-5,7-9,13H,6H2,1-3H3
InChIKeyNQAOYJLORXOENS-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.80
Rot. Bonds1

About 1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene

1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 79725548) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
PubChem CID79725548
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc2c(c1)C(Cl)C(C)C(C)C2
InChIInChI=1S/C13H17ClO/c1-8-6-10-4-5-11(15-3)7-12(10)13(14)9(8)2/h4-5,7-9,13H,6H2,1-3H3
InChIKeyNQAOYJLORXOENS-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 79726232
4-methoxy-2-methyl-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-amine
CID 81422141
4-methoxy-2,2a,7,7a-tetrahydrocyclobuta[a]inden-1-one
CID 81421647
8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene
CID 54445831
(1S,9S,12S)-10-ethyl-4-methoxy-12-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 175084123
(7S)-4-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylate
CID 7055849
methyl 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydroiodide
CID 19610257
(2aS,7aS)-2,2-dichloro-4-methoxy-7,7a-dihydro-2aH-cyclobuta[a]inden-1-one
CID 10106484
1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 64688198
2-(3,4-dimethylcyclohexyl)oxy-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372422
(1R)-7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one
CID 86306624
2-N-(2,2-dimethylpropyl)-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79374321

Frequently Asked Questions

What is the IUPAC name of 1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene (CID 79725548) is 1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene is COc1ccc2c(c1)C(Cl)C(C)C(C)C2.
What is the InChIKey of 1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is NQAOYJLORXOENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c1-8-6-10-4-5-11(15-3)7-12(10)13(14)9(8)2/h4-5,7-9,13H,6H2,1-3H3.
What are the key properties of 1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene?
1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 224.73 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 79725548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).