(7-bromonaphthalen-2-yl)methanol

C11H9BrO — CID 22240133

IUPAC(7-bromonaphthalen-2-yl)methanol
SMILESOCc1ccc2ccc(Br)cc2c1
InChIInChI=1S/C11H9BrO/c12-11-4-3-9-2-1-8(7-13)5-10(9)6-11/h1-6,13H,7H2
InChIKeyYLFSBYGBYCQPIN-UHFFFAOYSA-N
MW237.10 g/mol
LogP3.09
Rot. Bonds1

About (7-bromonaphthalen-2-yl)methanol

(7-bromonaphthalen-2-yl)methanol (PubChem CID 22240133) has the molecular formula C11H9BrO and a molecular weight of 237.10 g/mol. Its IUPAC name is (7-bromonaphthalen-2-yl)methanol.

Molecular Properties

Compound Name(7-bromonaphthalen-2-yl)methanol
PubChem CID22240133
Molecular FormulaC11H9BrO
Molecular Weight237.10 g/mol
Exact Mass235.98
IUPAC Name(7-bromonaphthalen-2-yl)methanol
SMILESOCc1ccc2ccc(Br)cc2c1
InChIInChI=1S/C11H9BrO/c12-11-4-3-9-2-1-8(7-13)5-10(9)6-11/h1-6,13H,7H2
InChIKeyYLFSBYGBYCQPIN-UHFFFAOYSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7-bromonaphthalen-2-yl)methanol?
The IUPAC name of (7-bromonaphthalen-2-yl)methanol (CID 22240133) is (7-bromonaphthalen-2-yl)methanol.
What is the SMILES notation for (7-bromonaphthalen-2-yl)methanol?
The canonical SMILES for (7-bromonaphthalen-2-yl)methanol is OCc1ccc2ccc(Br)cc2c1.
What is the InChIKey of (7-bromonaphthalen-2-yl)methanol?
The InChIKey is YLFSBYGBYCQPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO/c12-11-4-3-9-2-1-8(7-13)5-10(9)6-11/h1-6,13H,7H2.
What are the key properties of (7-bromonaphthalen-2-yl)methanol?
(7-bromonaphthalen-2-yl)methanol has a molecular weight of 237.10 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromonaphthalen-2-yl)methanol is sourced from PubChem (CID 22240133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).