(2R)-8-bromo-2-methyl-1,2,3,4-tetrahydronaphthalene

C11H13Br — CID 142027727

IUPAC(2R)-8-bromo-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESC[C@@H]1CCc2cccc(Br)c2C1
InChIInChI=1S/C11H13Br/c1-8-5-6-9-3-2-4-11(12)10(9)7-8/h2-4,8H,5-7H2,1H3/t8-/m1/s1
InChIKeyHVCIUANTNDEQAM-MRVPVSSYSA-N
MW225.13 g/mol
LogP3.57
Rot. Bonds

About (2R)-8-bromo-2-methyl-1,2,3,4-tetrahydronaphthalene

(2R)-8-bromo-2-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 142027727) has the molecular formula C11H13Br and a molecular weight of 225.13 g/mol. Its IUPAC name is (2R)-8-bromo-2-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(2R)-8-bromo-2-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID142027727
Molecular FormulaC11H13Br
Molecular Weight225.13 g/mol
Exact Mass224.02
IUPAC Name(2R)-8-bromo-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESC[C@@H]1CCc2cccc(Br)c2C1
InChIInChI=1S/C11H13Br/c1-8-5-6-9-3-2-4-11(12)10(9)7-8/h2-4,8H,5-7H2,1H3/t8-/m1/s1
InChIKeyHVCIUANTNDEQAM-MRVPVSSYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 67639312
ethane;2-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 143482609
8-bromo-N-butan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 19823465
(2R)-N,N-dibenzyl-8-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
CID 22082960
N-benzyl-7-methyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 59666288
1-bromo-7-methyl-5,6,7,8-tetrahydrophthalazine
CID 82391415
5-ethenyl-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 177206277
1,4-dibromo-7-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 63513697
8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane
CID 143708719
2-methyl-1,2,3,4-tetrahydrotetracene
CID 19962649
2-[(2S)-4-bromo-2,3-dihydro-1H-inden-2-yl]acetic acid
CID 97029289
ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline
CID 143143665

Frequently Asked Questions

What is the IUPAC name of (2R)-8-bromo-2-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (2R)-8-bromo-2-methyl-1,2,3,4-tetrahydronaphthalene (CID 142027727) is (2R)-8-bromo-2-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (2R)-8-bromo-2-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (2R)-8-bromo-2-methyl-1,2,3,4-tetrahydronaphthalene is C[C@@H]1CCc2cccc(Br)c2C1.
What is the InChIKey of (2R)-8-bromo-2-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is HVCIUANTNDEQAM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13Br/c1-8-5-6-9-3-2-4-11(12)10(9)7-8/h2-4,8H,5-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-8-bromo-2-methyl-1,2,3,4-tetrahydronaphthalene?
(2R)-8-bromo-2-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 225.13 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-bromo-2-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 142027727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).