(1S,2R)-2-bromo-1-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene

C17H17BrO — CID 11688277

IUPAC(1S,2R)-2-bromo-1-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc([C@H]2c3ccccc3CC[C@H]2Br)cc1
InChIInChI=1S/C17H17BrO/c1-19-14-9-6-13(7-10-14)17-15-5-3-2-4-12(15)8-11-16(17)18/h2-7,9-10,16-17H,8,11H2,1H3/t16-,17+/m1/s1
InChIKeyLATFYZIFZGTISF-SJORKVTESA-N
MW317.23 g/mol
LogP4.54
Rot. Bonds2

About (1S,2R)-2-bromo-1-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene

(1S,2R)-2-bromo-1-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 11688277) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is (1S,2R)-2-bromo-1-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1S,2R)-2-bromo-1-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID11688277
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name(1S,2R)-2-bromo-1-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc([C@H]2c3ccccc3CC[C@H]2Br)cc1
InChIInChI=1S/C17H17BrO/c1-19-14-9-6-13(7-10-14)17-15-5-3-2-4-12(15)8-11-16(17)18/h2-7,9-10,16-17H,8,11H2,1H3/t16-,17+/m1/s1
InChIKeyLATFYZIFZGTISF-SJORKVTESA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 132584955
(1R,2S)-2-bromo-1-(2,3,4-trimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 134940287
(5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 10563844
(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 56653576
1-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 101467069
(6aS,12bR)-1,3-dimethoxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene
CID 56654264
2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone
CID 12045348
2-[(1R)-2,3-dihydro-1H-inden-1-yl]naphthalene;methoxymethane
CID 142137917
4-(4-methoxyphenyl)-2-phenyl-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]thiochromene
CID 12785396
(1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10587055
(NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 10659475
N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369352

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-bromo-1-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1S,2R)-2-bromo-1-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene (CID 11688277) is (1S,2R)-2-bromo-1-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1S,2R)-2-bromo-1-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1S,2R)-2-bromo-1-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene is COc1ccc([C@H]2c3ccccc3CC[C@H]2Br)cc1.
What is the InChIKey of (1S,2R)-2-bromo-1-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is LATFYZIFZGTISF-SJORKVTESA-N. The full InChI is InChI=1S/C17H17BrO/c1-19-14-9-6-13(7-10-14)17-15-5-3-2-4-12(15)8-11-16(17)18/h2-7,9-10,16-17H,8,11H2,1H3/t16-,17+/m1/s1.
What are the key properties of (1S,2R)-2-bromo-1-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
(1S,2R)-2-bromo-1-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 317.23 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-bromo-1-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 11688277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).