6-bromo-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol

C12H15BrO — CID 63631152

IUPAC6-bromo-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol
SMILESCCC1(O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C12H15BrO/c1-2-12(14)6-5-9-7-11(13)4-3-10(9)8-12/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyVADHOVXZEBPUOH-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.08
Rot. Bonds1

About 6-bromo-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol

6-bromo-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 63631152) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 6-bromo-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID63631152
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name6-bromo-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol
SMILESCCC1(O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C12H15BrO/c1-2-12(14)6-5-9-7-11(13)4-3-10(9)8-12/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyVADHOVXZEBPUOH-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-Bromophenyl)-2-methylpropan-2-ol
CID 316785
1-(3-Bromophenyl)-2-methylpropan-2-ol
CID 23087712
7-Bromo-1,2,3,4-tetrahydronaphthalen-2-ol
CID 105484321
6-Bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 63631360
3,6-Dibromo-9,10-dimethyl-9,10-dihydrophenanthrene-9,10-diol
CID 13659222
6-Bromo-1,2,3,4-tetrahydronaphthalen-2-ol
CID 18377805
(2S)-6-Bromo-1,2,3,4-tetrahydronaphthalen-2-ol
CID 69769589
2-(5-Bromo-2-methylphenyl)propan-2-ol
CID 84692412
6-bromo-2-(3,4-difluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 22709066
6-bromo-1,1,8-trifluoro-3,4-dihydro-2H-naphthalen-2-ol
CID 58995740
2-(6-Bromo-2-naphthyl)-1,1,1-trifluoropropan-2-ol
CID 66637605
(2R)-8-bromo-3,3,4,4,7-pentafluoro-1-methyl-2-prop-2-enyl-1H-naphthalen-2-ol
CID 156894779

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 6-bromo-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol (CID 63631152) is 6-bromo-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 6-bromo-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 6-bromo-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol is CCC1(O)CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is VADHOVXZEBPUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-2-12(14)6-5-9-7-11(13)4-3-10(9)8-12/h3-4,7,14H,2,5-6,8H2,1H3.
What are the key properties of 6-bromo-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol?
6-bromo-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 255.15 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 63631152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).