2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol

C10H11BrO — CID 22252946

IUPAC2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1c(Br)ccc2c1CCCC2
InChIInChI=1S/C10H11BrO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h5-6,12H,1-4H2
InChIKeyUMEVWYIMNWFRAF-UHFFFAOYSA-N
MW227.10 g/mol
LogP3.03
Rot. Bonds

About 2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol

2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 22252946) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID22252946
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1c(Br)ccc2c1CCCC2
InChIInChI=1S/C10H11BrO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h5-6,12H,1-4H2
InChIKeyUMEVWYIMNWFRAF-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol (CID 22252946) is 2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol is Oc1c(Br)ccc2c1CCCC2.
What is the InChIKey of 2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is UMEVWYIMNWFRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h5-6,12H,1-4H2.
What are the key properties of 2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol?
2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 227.10 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 22252946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).