1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol

C12H15BrO — CID 84708520

IUPAC1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
SMILESCC(O)c1cc(Br)c2c(c1)CCCC2
InChIInChI=1S/C12H15BrO/c1-8(14)10-6-9-4-2-3-5-11(9)12(13)7-10/h6-8,14H,2-5H2,1H3
InChIKeyGAOWKBFTZCGTCI-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.38
Rot. Bonds1

About 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol

1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol (PubChem CID 84708520) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
PubChem CID84708520
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
SMILESCC(O)c1cc(Br)c2c(c1)CCCC2
InChIInChI=1S/C12H15BrO/c1-8(14)10-6-9-4-2-3-5-11(9)12(13)7-10/h6-8,14H,2-5H2,1H3
InChIKeyGAOWKBFTZCGTCI-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(7-bromo-2,3-dihydro-1H-inden-5-yl)ethanol
CID 84702409
2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117454978
1-(7-chloro-2,3-dihydro-1H-inden-5-yl)ethanol
CID 84667304
3-(7-bromo-2,3-dihydro-1H-inden-5-yl)butanal
CID 117421033
2-amino-2-(7-bromo-2,3-dihydro-1H-inden-5-yl)acetic acid
CID 84712529
(1R)-1-[3-bromo-5-[(1R)-1-hydroxyethyl]phenyl]ethanol
CID 101105298
1-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 84715361
1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine
CID 117388146
3-(7-bromo-2,3-dihydro-1H-inden-5-yl)-3-cyclopropylpropanoic acid
CID 117493974
(1R)-1-(5,6,7,8-tetrahydroquinolin-3-yl)ethanol
CID 124706347
(5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65307271
(3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 81476719

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The IUPAC name of 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol (CID 84708520) is 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The canonical SMILES for 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol is CC(O)c1cc(Br)c2c(c1)CCCC2.
What is the InChIKey of 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The InChIKey is GAOWKBFTZCGTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-8(14)10-6-9-4-2-3-5-11(9)12(13)7-10/h6-8,14H,2-5H2,1H3.
What are the key properties of 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol has a molecular weight of 255.15 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol is sourced from PubChem (CID 84708520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).