(8-bromonaphthalen-1-yl)methanol

C11H9BrO — CID 2780087

IUPAC(8-bromonaphthalen-1-yl)methanol
SMILESOCc1cccc2cccc(Br)c12
InChIInChI=1S/C11H9BrO/c12-10-6-2-4-8-3-1-5-9(7-13)11(8)10/h1-6,13H,7H2
InChIKeyCBEFAHWSHVJUKE-UHFFFAOYSA-N
MW237.10 g/mol
LogP3.09
Rot. Bonds1

About (8-bromonaphthalen-1-yl)methanol

(8-bromonaphthalen-1-yl)methanol (PubChem CID 2780087) has the molecular formula C11H9BrO and a molecular weight of 237.10 g/mol. Its IUPAC name is (8-bromonaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(8-bromonaphthalen-1-yl)methanol
PubChem CID2780087
Molecular FormulaC11H9BrO
Molecular Weight237.10 g/mol
Exact Mass235.98
IUPAC Name(8-bromonaphthalen-1-yl)methanol
SMILESOCc1cccc2cccc(Br)c12
InChIInChI=1S/C11H9BrO/c12-10-6-2-4-8-3-1-5-9(7-13)11(8)10/h1-6,13H,7H2
InChIKeyCBEFAHWSHVJUKE-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 (8-bromonaphthalen-1-yl)methanol?
The IUPAC name of (8-bromonaphthalen-1-yl)methanol (CID 2780087) is (8-bromonaphthalen-1-yl)methanol.
What is the SMILES notation for (8-bromonaphthalen-1-yl)methanol?
The canonical SMILES for (8-bromonaphthalen-1-yl)methanol is OCc1cccc2cccc(Br)c12.
What is the InChIKey of (8-bromonaphthalen-1-yl)methanol?
The InChIKey is CBEFAHWSHVJUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO/c12-10-6-2-4-8-3-1-5-9(7-13)11(8)10/h1-6,13H,7H2.
What are the key properties of (8-bromonaphthalen-1-yl)methanol?
(8-bromonaphthalen-1-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 (8-bromonaphthalen-1-yl)methanol is sourced from PubChem (CID 2780087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).