2-(7-bromo-3,4-dihydronaphthalen-1-yl)ethanol

C12H13BrO — CID 102513348

IUPAC2-(7-bromo-3,4-dihydronaphthalen-1-yl)ethanol
SMILESOCCC1=CCCc2ccc(Br)cc21
InChIInChI=1S/C12H13BrO/c13-11-5-4-9-2-1-3-10(6-7-14)12(9)8-11/h3-5,8,14H,1-2,6-7H2
InChIKeyQUYDDRPWECCGPE-UHFFFAOYSA-N
MW253.14 g/mol
LogP3.16
Rot. Bonds2

About 2-(7-bromo-3,4-dihydronaphthalen-1-yl)ethanol

2-(7-bromo-3,4-dihydronaphthalen-1-yl)ethanol (PubChem CID 102513348) has the molecular formula C12H13BrO and a molecular weight of 253.14 g/mol. Its IUPAC name is 2-(7-bromo-3,4-dihydronaphthalen-1-yl)ethanol.

Molecular Properties

Compound Name2-(7-bromo-3,4-dihydronaphthalen-1-yl)ethanol
PubChem CID102513348
Molecular FormulaC12H13BrO
Molecular Weight253.14 g/mol
Exact Mass252.01
IUPAC Name2-(7-bromo-3,4-dihydronaphthalen-1-yl)ethanol
SMILESOCCC1=CCCc2ccc(Br)cc21
InChIInChI=1S/C12H13BrO/c13-11-5-4-9-2-1-3-10(6-7-14)12(9)8-11/h3-5,8,14H,1-2,6-7H2
InChIKeyQUYDDRPWECCGPE-UHFFFAOYSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-3,4-dihydronaphthalen-1-yl)ethanol?
The IUPAC name of 2-(7-bromo-3,4-dihydronaphthalen-1-yl)ethanol (CID 102513348) is 2-(7-bromo-3,4-dihydronaphthalen-1-yl)ethanol.
What is the SMILES notation for 2-(7-bromo-3,4-dihydronaphthalen-1-yl)ethanol?
The canonical SMILES for 2-(7-bromo-3,4-dihydronaphthalen-1-yl)ethanol is OCCC1=CCCc2ccc(Br)cc21.
What is the InChIKey of 2-(7-bromo-3,4-dihydronaphthalen-1-yl)ethanol?
The InChIKey is QUYDDRPWECCGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO/c13-11-5-4-9-2-1-3-10(6-7-14)12(9)8-11/h3-5,8,14H,1-2,6-7H2.
What are the key properties of 2-(7-bromo-3,4-dihydronaphthalen-1-yl)ethanol?
2-(7-bromo-3,4-dihydronaphthalen-1-yl)ethanol has a molecular weight of 253.14 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-3,4-dihydronaphthalen-1-yl)ethanol is sourced from PubChem (CID 102513348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).