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

C13H17BrO — CID 79726232

IUPAC1-bromo-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc2c(c1)C(Br)C(C)C(C)C2
InChIInChI=1S/C13H17BrO/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
InChIKeyLNBRMPLBPHYHAH-UHFFFAOYSA-N
MW269.18 g/mol
LogP3.96
Rot. Bonds1

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

1-bromo-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 79726232) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 1-bromo-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-bromo-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
PubChem CID79726232
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name1-bromo-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc2c(c1)C(Br)C(C)C(C)C2
InChIInChI=1S/C13H17BrO/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
InChIKeyLNBRMPLBPHYHAH-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-bromo-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 79725548
4-methoxy-2-methyl-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-amine
CID 81422141
1-bromo-6-(methoxymethyl)-2-methyl-2,3-dihydro-1H-indene
CID 79726450
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
2-(3,4-dimethylcyclohexyl)oxy-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372422
(7S)-4-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylate
CID 7055849
1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 64688198
2-(3,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372409
2-(4-fluorophenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79374018
(1S,9S,12S)-10-ethyl-4-methoxy-12-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 175084123
(1R)-7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one
CID 86306624

Frequently Asked Questions

What is the IUPAC name of 1-bromo-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-bromo-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene (CID 79726232) is 1-bromo-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-bromo-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-bromo-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene is COc1ccc2c(c1)C(Br)C(C)C(C)C2.
What is the InChIKey of 1-bromo-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is LNBRMPLBPHYHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/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-bromo-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene?
1-bromo-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 269.18 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 79726232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).