(1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

C15H21BrO3 — CID 115417797

IUPAC(1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCOc1cc(Br)c2c(c1OCC)[C@@H](O)CCC2C
InChIInChI=1S/C15H21BrO3/c1-4-18-12-8-10(16)13-9(3)6-7-11(17)14(13)15(12)19-5-2/h8-9,11,17H,4-7H2,1-3H3/t9?,11-/m0/s1
InChIKeyQEXZEMRCIGJJMO-UMJHXOGRSA-N
MW329.23 g/mol
LogP4.18
Rot. Bonds4

About (1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

(1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 115417797) has the molecular formula C15H21BrO3 and a molecular weight of 329.23 g/mol. Its IUPAC name is (1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID115417797
Molecular FormulaC15H21BrO3
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name(1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCOc1cc(Br)c2c(c1OCC)[C@@H](O)CCC2C
InChIInChI=1S/C15H21BrO3/c1-4-18-12-8-10(16)13-9(3)6-7-11(17)14(13)15(12)19-5-2/h8-9,11,17H,4-7H2,1-3H3/t9?,11-/m0/s1
InChIKeyQEXZEMRCIGJJMO-UMJHXOGRSA-N
XLogP4.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-7,8-diethoxy-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417490
(1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417812
(1S)-4-bromo-6,7-diethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837856
(1S)-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 113305848
1-chloro-3,4-diethoxy-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62943527
(1R)-5-bromo-7,8-diethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014184
(10R)-6-bromo-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-ol
CID 115417852
8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417517
(1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417809
(1R)-5-bromo-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417759
(1S)-4-methyl-6,7-dipropoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417778
2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]cyclopentan-1-ol
CID 60887933

Frequently Asked Questions

What is the IUPAC name of (1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 115417797) is (1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is CCOc1cc(Br)c2c(c1OCC)[C@@H](O)CCC2C.
What is the InChIKey of (1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is QEXZEMRCIGJJMO-UMJHXOGRSA-N. The full InChI is InChI=1S/C15H21BrO3/c1-4-18-12-8-10(16)13-9(3)6-7-11(17)14(13)15(12)19-5-2/h8-9,11,17H,4-7H2,1-3H3/t9?,11-/m0/s1.
What are the key properties of (1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 329.23 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 115417797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).