1-chloro-7,8-dimethoxy-5-methyl-1,2,3,4-tetrahydronaphthalene

C13H17ClO2 — CID 62735651

IUPAC1-chloro-7,8-dimethoxy-5-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCOc1cc(C)c2c(c1OC)C(Cl)CCC2
InChIInChI=1S/C13H17ClO2/c1-8-7-11(15-2)13(16-3)12-9(8)5-4-6-10(12)14/h7,10H,4-6H2,1-3H3
InChIKeyXFKFVAKOWXLXNR-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.63
Rot. Bonds2

About 1-chloro-7,8-dimethoxy-5-methyl-1,2,3,4-tetrahydronaphthalene

1-chloro-7,8-dimethoxy-5-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 62735651) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-chloro-7,8-dimethoxy-5-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-chloro-7,8-dimethoxy-5-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID62735651
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name1-chloro-7,8-dimethoxy-5-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCOc1cc(C)c2c(c1OC)C(Cl)CCC2
InChIInChI=1S/C13H17ClO2/c1-8-7-11(15-2)13(16-3)12-9(8)5-4-6-10(12)14/h7,10H,4-6H2,1-3H3
InChIKeyXFKFVAKOWXLXNR-UHFFFAOYSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-1-chloro-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
CID 105057519
5-chloro-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 55108947
5-chloro-1-methoxy-4-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 62735461
1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 104546666
7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10954731
5,9-dichloro-6,7-dimethoxy-1,2,4,5-tetrahydro-3-benzoxepine
CID 62737501
(1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014418
4,5-dichloro-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 104546674
N-ethyl-6,7-dimethoxy-9-methyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine
CID 62735437
2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine
CID 117499567
5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55109327
(1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014185

Frequently Asked Questions

What is the IUPAC name of 1-chloro-7,8-dimethoxy-5-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-chloro-7,8-dimethoxy-5-methyl-1,2,3,4-tetrahydronaphthalene (CID 62735651) is 1-chloro-7,8-dimethoxy-5-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-chloro-7,8-dimethoxy-5-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-chloro-7,8-dimethoxy-5-methyl-1,2,3,4-tetrahydronaphthalene is COc1cc(C)c2c(c1OC)C(Cl)CCC2.
What is the InChIKey of 1-chloro-7,8-dimethoxy-5-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is XFKFVAKOWXLXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-8-7-11(15-2)13(16-3)12-9(8)5-4-6-10(12)14/h7,10H,4-6H2,1-3H3.
What are the key properties of 1-chloro-7,8-dimethoxy-5-methyl-1,2,3,4-tetrahydronaphthalene?
1-chloro-7,8-dimethoxy-5-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 240.73 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7,8-dimethoxy-5-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 62735651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).