2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol

C11H13BrO2 — CID 13275748

IUPAC2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1ccc2c(c1)CCC(Br)C2O
InChIInChI=1S/C11H13BrO2/c1-14-8-3-4-9-7(6-8)2-5-10(12)11(9)13/h3-4,6,10-11,13H,2,5H2,1H3
InChIKeyCSDLOOIGBHGMMI-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.44
Rot. Bonds1

About 2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol

2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 13275748) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID13275748
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1ccc2c(c1)CCC(Br)C2O
InChIInChI=1S/C11H13BrO2/c1-14-8-3-4-9-7(6-8)2-5-10(12)11(9)13/h3-4,6,10-11,13H,2,5H2,1H3
InChIKeyCSDLOOIGBHGMMI-UHFFFAOYSA-N
XLogP2.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 125482572
(1R,2S)-2-bromo-6-chloro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 177205675
(5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 125495690
(1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile
CID 86319053
(2S)-2-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid;(2R)-2-[(1R)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid
CID 160877367
6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-ol;hydrochloride
CID 90423697
[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 64812391
6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one
CID 66350309
2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 52911309
(8S,13R,14R,17R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
CID 59912580
(8R,9S,13R,14S,17R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
CID 101235253
(1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10587055

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol (CID 13275748) is 2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol is COc1ccc2c(c1)CCC(Br)C2O.
What is the InChIKey of 2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is CSDLOOIGBHGMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-14-8-3-4-9-7(6-8)2-5-10(12)11(9)13/h3-4,6,10-11,13H,2,5H2,1H3.
What are the key properties of 2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 257.13 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 13275748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).