1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene

C11H12Cl2O — CID 104546666

IUPAC1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc(Cl)c2c1CCCC2Cl
InChIInChI=1S/C11H12Cl2O/c1-14-10-6-5-9(13)11-7(10)3-2-4-8(11)12/h5-6,8H,2-4H2,1H3
InChIKeyFXGPYKQDKTUKIU-UHFFFAOYSA-N
MW231.12 g/mol
LogP3.96
Rot. Bonds1

About 1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene

1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 104546666) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is 1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID104546666
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc(Cl)c2c1CCCC2Cl
InChIInChI=1S/C11H12Cl2O/c1-14-10-6-5-9(13)11-7(10)3-2-4-8(11)12/h5-6,8H,2-4H2,1H3
InChIKeyFXGPYKQDKTUKIU-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 53.96
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

4,5-dichloro-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 104546674
5-chloro-1-methoxy-4-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 62735461
(5S)-4-chloro-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 104546659
1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 21120088
1-chloro-4,7-dimethoxy-2,3-dihydro-1H-indene
CID 61383826
7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 18386395
8-chloro-5-methoxy-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 138400676
N-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylprop-2-enamide
CID 127267426
7-bromo-1-chloro-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
CID 105057519
1-chloro-7,8-dimethoxy-5-methyl-1,2,3,4-tetrahydronaphthalene
CID 62735651
(3R,4R)-3-[(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]oxan-4-ol
CID 167913171
8-chloro-N,N-dimethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 138400673

Frequently Asked Questions

What is the IUPAC name of 1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene (CID 104546666) is 1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene is COc1ccc(Cl)c2c1CCCC2Cl.
What is the InChIKey of 1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is FXGPYKQDKTUKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O/c1-14-10-6-5-9(13)11-7(10)3-2-4-8(11)12/h5-6,8H,2-4H2,1H3.
What are the key properties of 1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene?
1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 231.12 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 1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 104546666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).