(1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

C12H15BrO2 — CID 115417809

IUPAC(1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1ccc(Br)c2c1C(C)CC[C@H]2O
InChIInChI=1S/C12H15BrO2/c1-7-3-5-9(14)12-8(13)4-6-10(15-2)11(7)12/h4,6-7,9,14H,3,5H2,1-2H3/t7?,9-/m1/s1
InChIKeyPJCGZFSMFKTUKJ-NHSZFOGYSA-N
MW271.15 g/mol
LogP3.39
Rot. Bonds1

About (1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

(1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 115417809) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is (1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID115417809
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name(1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1ccc(Br)c2c1C(C)CC[C@H]2O
InChIInChI=1S/C12H15BrO2/c1-7-3-5-9(14)12-8(13)4-6-10(15-2)11(7)12/h4,6-7,9,14H,3,5H2,1-2H3/t7?,9-/m1/s1
InChIKeyPJCGZFSMFKTUKJ-NHSZFOGYSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417812
(1S)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417509
(1S)-9-methoxy-4-methyl-1,2,3,4-tetrahydrophenanthren-1-ol
CID 113305846
(5R)-9-bromo-6-methoxy-3-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-ol
CID 82887754
2-[(2S)-azetidin-2-yl]-3-bromo-6-methoxyphenol
CID 130859989
8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104546598
5,8-dimethoxy-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64687985
1-cyclopropyl-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
CID 64688199
6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol
CID 101087040
(3-bromo-4-methoxyphenyl)-(5-methyloxolan-2-yl)methanol
CID 81330381
2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine
CID 84713802
(3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol
CID 64749368

Frequently Asked Questions

What is the IUPAC name of (1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 115417809) is (1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is COc1ccc(Br)c2c1C(C)CC[C@H]2O.
What is the InChIKey of (1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is PJCGZFSMFKTUKJ-NHSZFOGYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-7-3-5-9(14)12-8(13)4-6-10(15-2)11(7)12/h4,6-7,9,14H,3,5H2,1-2H3/t7?,9-/m1/s1.
What are the key properties of (1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
(1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 271.15 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 115417809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).