(2S,3S)-6-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-2-ol

C11H13BrO — CID 147048026

IUPAC(2S,3S)-6-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESC[C@H]1Cc2cc(Br)ccc2C[C@@H]1O
InChIInChI=1S/C11H13BrO/c1-7-4-9-5-10(12)3-2-8(9)6-11(7)13/h2-3,5,7,11,13H,4,6H2,1H3/t7-,11-/m0/s1
InChIKeyBATJMYORJUJOFG-CPCISQLKSA-N
MW241.13 g/mol
LogP2.54
Rot. Bonds

About (2S,3S)-6-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-2-ol

(2S,3S)-6-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 147048026) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is (2S,3S)-6-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2S,3S)-6-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID147048026
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name(2S,3S)-6-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESC[C@H]1Cc2cc(Br)ccc2C[C@@H]1O
InChIInChI=1S/C11H13BrO/c1-7-4-9-5-10(12)3-2-8(9)6-11(7)13/h2-3,5,7,11,13H,4,6H2,1H3/t7-,11-/m0/s1
InChIKeyBATJMYORJUJOFG-CPCISQLKSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 162045632
3,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 163891740
5-bromo-2,3-dihydro-1H-inden-2-amine
CID 11298795
(2R,3R)-7-bromo-2-methyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 126662449
7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol
CID 105484321
(1S,2R)-6-bromo-2,3-dihydro-1H-indene-1,2-diol
CID 101243117
6-bromo-1-chloro-2-methyl-2,3-dihydro-1H-indene
CID 79725428
5-bromo-2,3-dihydro-1H-indene-2-carboxamide
CID 77491392
(3S)-6-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 155921000
N-(5-bromo-2,3-dihydro-1H-inden-2-yl)methanesulfonamide
CID 70291277
5-bromo-2-[4-(4-propylcyclohexyl)cyclohexyl]-2,3-dihydro-1H-indene
CID 67818490
3-bromobicyclo[4.2.0]octa-1(6),2,4-triene
CID 10866980

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-6-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (2S,3S)-6-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-2-ol (CID 147048026) is (2S,3S)-6-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (2S,3S)-6-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (2S,3S)-6-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-2-ol is C[C@H]1Cc2cc(Br)ccc2C[C@@H]1O.
What is the InChIKey of (2S,3S)-6-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is BATJMYORJUJOFG-CPCISQLKSA-N. The full InChI is InChI=1S/C11H13BrO/c1-7-4-9-5-10(12)3-2-8(9)6-11(7)13/h2-3,5,7,11,13H,4,6H2,1H3/t7-,11-/m0/s1.
What are the key properties of (2S,3S)-6-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-2-ol?
(2S,3S)-6-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 241.13 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-6-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 147048026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).