(4-bromonaphthalen-2-yl)methanol

C11H9BrO — CID 59869315

IUPAC(4-bromonaphthalen-2-yl)methanol
SMILESOCc1cc(Br)c2ccccc2c1
InChIInChI=1S/C11H9BrO/c12-11-6-8(7-13)5-9-3-1-2-4-10(9)11/h1-6,13H,7H2
InChIKeyVYSCKPUODPPSJS-UHFFFAOYSA-N
MW237.10 g/mol
LogP3.09
Rot. Bonds1

About (4-bromonaphthalen-2-yl)methanol

(4-bromonaphthalen-2-yl)methanol (PubChem CID 59869315) has the molecular formula C11H9BrO and a molecular weight of 237.10 g/mol. Its IUPAC name is (4-bromonaphthalen-2-yl)methanol.

Molecular Properties

Compound Name(4-bromonaphthalen-2-yl)methanol
PubChem CID59869315
Molecular FormulaC11H9BrO
Molecular Weight237.10 g/mol
Exact Mass235.98
IUPAC Name(4-bromonaphthalen-2-yl)methanol
SMILESOCc1cc(Br)c2ccccc2c1
InChIInChI=1S/C11H9BrO/c12-11-6-8(7-13)5-9-3-1-2-4-10(9)11/h1-6,13H,7H2
InChIKeyVYSCKPUODPPSJS-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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Related Compounds

2-Naphthalenemethanol
CID 74128
(3-Bromonaphthalen-2-yl)methanol
CID 264948
4-Methyl-1-naphthalenemethanol
CID 278678
(8-Bromonaphthalen-1-yl)methanol
CID 2780087
(3-Bromo-2-methylphenyl)methanol
CID 10035697
2-Bromo-1-(naphthalen-2-yl)ethan-1-ol
CID 13102054
1,4-Naphthalenedimethanol
CID 15536753
1-(3-Bromo-4-methylphenyl)ethan-1-ol
CID 21940332
(3-Bromo-4-methylphenyl)methanol
CID 12947381
1-(Naphthalen-2-yl)prop-2-en-1-ol
CID 10921194
2,3-Bis(hydroxymethyl)naphthalene
CID 598417
2,6-Bis(hydroxymethyl)naphthalene
CID 11788722

Frequently Asked Questions

What is the IUPAC name of (4-bromonaphthalen-2-yl)methanol?
The IUPAC name of (4-bromonaphthalen-2-yl)methanol (CID 59869315) is (4-bromonaphthalen-2-yl)methanol.
What is the SMILES notation for (4-bromonaphthalen-2-yl)methanol?
The canonical SMILES for (4-bromonaphthalen-2-yl)methanol is OCc1cc(Br)c2ccccc2c1.
What is the InChIKey of (4-bromonaphthalen-2-yl)methanol?
The InChIKey is VYSCKPUODPPSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO/c12-11-6-8(7-13)5-9-3-1-2-4-10(9)11/h1-6,13H,7H2.
What are the key properties of (4-bromonaphthalen-2-yl)methanol?
(4-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 (4-bromonaphthalen-2-yl)methanol is sourced from PubChem (CID 59869315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).