1-bromo-5-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalene

C11H12BrClO — CID 62736738

IUPAC1-bromo-5-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOc1cc(Cl)c2c(c1)C(Br)CCC2
InChIInChI=1S/C11H12BrClO/c1-14-7-5-9-8(11(13)6-7)3-2-4-10(9)12/h5-6,10H,2-4H2,1H3
InChIKeyXFRXLIVURQZZEN-UHFFFAOYSA-N
MW275.57 g/mol
LogP4.12
Rot. Bonds1

About 1-bromo-5-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalene

1-bromo-5-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 62736738) has the molecular formula C11H12BrClO and a molecular weight of 275.57 g/mol. Its IUPAC name is 1-bromo-5-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-bromo-5-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID62736738
Molecular FormulaC11H12BrClO
Molecular Weight275.57 g/mol
Exact Mass273.98
IUPAC Name1-bromo-5-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOc1cc(Cl)c2c(c1)C(Br)CCC2
InChIInChI=1S/C11H12BrClO/c1-14-7-5-9-8(11(13)6-7)3-2-4-10(9)12/h5-6,10H,2-4H2,1H3
InChIKeyXFRXLIVURQZZEN-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.57
LogP ≤ 54.12
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

(5S)-1-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014415
1-bromo-4,6-dimethoxy-2,3-dihydro-1H-indene
CID 61384882
5-chloro-7-methoxy-1,2,3,4-tetrahydroquinoline
CID 84667985
(5S)-1-fluoro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014491
1-bromo-N-ethyl-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62735801
(1S)-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine
CID 51441576
1-chloro-7-methoxy-1,2,3,3a,4,5-hexahydroacenaphthylene
CID 63821201
1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 104546666
2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole;2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 161447711
5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71432271
4,6-dimethoxy-2,3-dihydro-1H-inden-1-amine
CID 61382953
CID 90770996
CID 90770996

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-bromo-5-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalene (CID 62736738) is 1-bromo-5-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-bromo-5-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-bromo-5-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalene is COc1cc(Cl)c2c(c1)C(Br)CCC2.
What is the InChIKey of 1-bromo-5-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is XFRXLIVURQZZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO/c1-14-7-5-9-8(11(13)6-7)3-2-4-10(9)12/h5-6,10H,2-4H2,1H3.
What are the key properties of 1-bromo-5-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalene?
1-bromo-5-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 275.57 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 62736738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).