(1R,2R)-2-(2-bromoethyl)-2-methyl-3,4-dihydro-1H-naphthalen-1-ol

C13H17BrO — CID 102018706

IUPAC(1R,2R)-2-(2-bromoethyl)-2-methyl-3,4-dihydro-1H-naphthalen-1-ol
SMILESC[C@]1(CCBr)CCc2ccccc2[C@@H]1O
InChIInChI=1S/C13H17BrO/c1-13(8-9-14)7-6-10-4-2-3-5-11(10)12(13)15/h2-5,12,15H,6-9H2,1H3/t12-,13+/m0/s1
InChIKeyDUDOGQYYXQQSEG-QWHCGFSZSA-N
MW269.18 g/mol
LogP3.46
Rot. Bonds2

About (1R,2R)-2-(2-bromoethyl)-2-methyl-3,4-dihydro-1H-naphthalen-1-ol

(1R,2R)-2-(2-bromoethyl)-2-methyl-3,4-dihydro-1H-naphthalen-1-ol (PubChem CID 102018706) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is (1R,2R)-2-(2-bromoethyl)-2-methyl-3,4-dihydro-1H-naphthalen-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-(2-bromoethyl)-2-methyl-3,4-dihydro-1H-naphthalen-1-ol
PubChem CID102018706
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name(1R,2R)-2-(2-bromoethyl)-2-methyl-3,4-dihydro-1H-naphthalen-1-ol
SMILESC[C@]1(CCBr)CCc2ccccc2[C@@H]1O
InChIInChI=1S/C13H17BrO/c1-13(8-9-14)7-6-10-4-2-3-5-11(10)12(13)15/h2-5,12,15H,6-9H2,1H3/t12-,13+/m0/s1
InChIKeyDUDOGQYYXQQSEG-QWHCGFSZSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-2-ethyl-3,4-dihydro-1H-naphthalene-1,2-diol
CID 22216149
2,2-dimethyl-1,3-dihydroinden-1-ol;ethane
CID 162431044
ethane;3,3,4-trimethyl-2,4-dihydro-1H-naphthalene
CID 144627075
tris(2,3-dihydro-1H-inden-1-ol);ethane
CID 19770523
spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ol
CID 13300016
(2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol
CID 114266891
ethane;2-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 145337942
(1S,10R,13R)-13-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4,6,8-triene
CID 98416423
spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-ol
CID 21433631
4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol
CID 106125002
2-benzyl-2-(2,3-dihydro-1H-inden-1-yl)-1,3-dihydroinden-1-ol
CID 18368438
3-benzyl-2,3-dimethyl-1,4-dihydroisoquinolin-4-ol
CID 102338667

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(2-bromoethyl)-2-methyl-3,4-dihydro-1H-naphthalen-1-ol?
The IUPAC name of (1R,2R)-2-(2-bromoethyl)-2-methyl-3,4-dihydro-1H-naphthalen-1-ol (CID 102018706) is (1R,2R)-2-(2-bromoethyl)-2-methyl-3,4-dihydro-1H-naphthalen-1-ol.
What is the SMILES notation for (1R,2R)-2-(2-bromoethyl)-2-methyl-3,4-dihydro-1H-naphthalen-1-ol?
The canonical SMILES for (1R,2R)-2-(2-bromoethyl)-2-methyl-3,4-dihydro-1H-naphthalen-1-ol is C[C@]1(CCBr)CCc2ccccc2[C@@H]1O.
What is the InChIKey of (1R,2R)-2-(2-bromoethyl)-2-methyl-3,4-dihydro-1H-naphthalen-1-ol?
The InChIKey is DUDOGQYYXQQSEG-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H17BrO/c1-13(8-9-14)7-6-10-4-2-3-5-11(10)12(13)15/h2-5,12,15H,6-9H2,1H3/t12-,13+/m0/s1.
What are the key properties of (1R,2R)-2-(2-bromoethyl)-2-methyl-3,4-dihydro-1H-naphthalen-1-ol?
(1R,2R)-2-(2-bromoethyl)-2-methyl-3,4-dihydro-1H-naphthalen-1-ol has a molecular weight of 269.18 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(2-bromoethyl)-2-methyl-3,4-dihydro-1H-naphthalen-1-ol is sourced from PubChem (CID 102018706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).