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

C13H17BrO2 — CID 115417812

IUPAC(1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCOc1ccc(Br)c2c1C(C)CC[C@H]2O
InChIInChI=1S/C13H17BrO2/c1-3-16-11-7-5-9(14)13-10(15)6-4-8(2)12(11)13/h5,7-8,10,15H,3-4,6H2,1-2H3/t8?,10-/m1/s1
InChIKeyJCGHBPOQRIKDHJ-LHIURRSHSA-N
MW285.18 g/mol
LogP3.78
Rot. Bonds2

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

(1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 115417812) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is (1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID115417812
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name(1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCOc1ccc(Br)c2c1C(C)CC[C@H]2O
InChIInChI=1S/C13H17BrO2/c1-3-16-11-7-5-9(14)13-10(15)6-4-8(2)12(11)13/h5,7-8,10,15H,3-4,6H2,1-2H3/t8?,10-/m1/s1
InChIKeyJCGHBPOQRIKDHJ-LHIURRSHSA-N
XLogP3.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417809
8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417517
(1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417797
(1S)-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 113305848
(3-bromo-4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanol
CID 113438363
4-bromo-1-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62737842
6-bicyclo[3.1.0]hexanyl-(3-bromo-4-ethoxyphenyl)methanol
CID 104661081
7-bromo-1-chloro-4-ethoxy-3,3-dimethyl-1,2-dihydroindene
CID 79838057
(3-bromo-4-ethoxyphenyl)-(3-methyloxolan-2-yl)methanol
CID 104661160
5-bromo-7,8-diethoxy-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417490
2-(6-bromo-3-ethoxy-2-fluorophenyl)-1,3-dioxole
CID 141333473
7-bromo-4-ethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine
CID 79837930

Frequently Asked Questions

What is the IUPAC name of (1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 115417812) is (1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is CCOc1ccc(Br)c2c1C(C)CC[C@H]2O.
What is the InChIKey of (1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is JCGHBPOQRIKDHJ-LHIURRSHSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-3-16-11-7-5-9(14)13-10(15)6-4-8(2)12(11)13/h5,7-8,10,15H,3-4,6H2,1-2H3/t8?,10-/m1/s1.
What are the key properties of (1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
(1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 285.18 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 115417812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).