2-(5-bromo-3-methyltriazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol

C14H16BrN3O2 — CID 106461357

IUPAC2-(5-bromo-3-methyltriazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CC(O)(c1c(Br)nnn1C)CC2
InChIInChI=1S/C14H16BrN3O2/c1-18-12(13(15)16-17-18)14(19)6-5-9-3-4-11(20-2)7-10(9)8-14/h3-4,7,19H,5-6,8H2,1-2H3
InChIKeyAIVZVYJAWQTZKC-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.96
Rot. Bonds2

About 2-(5-bromo-3-methyltriazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol

2-(5-bromo-3-methyltriazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 106461357) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-(5-bromo-3-methyltriazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-(5-bromo-3-methyltriazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID106461357
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name2-(5-bromo-3-methyltriazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CC(O)(c1c(Br)nnn1C)CC2
InChIInChI=1S/C14H16BrN3O2/c1-18-12(13(15)16-17-18)14(19)6-5-9-3-4-11(20-2)7-10(9)8-14/h3-4,7,19H,5-6,8H2,1-2H3
InChIKeyAIVZVYJAWQTZKC-UHFFFAOYSA-N
XLogP1.96
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115511058
7-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115510965
2-(4-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115510926
7-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 84719792
7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115511135
2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile
CID 115511264
6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine]
CID 84620045
7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115510904
7-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 115511023
2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115511060
7-methoxy-2-(oxan-4-yl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115511003
2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 105461731

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-methyltriazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 2-(5-bromo-3-methyltriazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol (CID 106461357) is 2-(5-bromo-3-methyltriazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-(5-bromo-3-methyltriazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-(5-bromo-3-methyltriazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol is COc1ccc2c(c1)CC(O)(c1c(Br)nnn1C)CC2.
What is the InChIKey of 2-(5-bromo-3-methyltriazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is AIVZVYJAWQTZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-18-12(13(15)16-17-18)14(19)6-5-9-3-4-11(20-2)7-10(9)8-14/h3-4,7,19H,5-6,8H2,1-2H3.
What are the key properties of 2-(5-bromo-3-methyltriazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
2-(5-bromo-3-methyltriazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 338.21 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-methyltriazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 106461357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).