1-(4-bromonaphthalen-1-yl)propan-1-ol

C13H13BrO — CID 79597638

IUPAC1-(4-bromonaphthalen-1-yl)propan-1-ol
SMILESCCC(O)c1ccc(Br)c2ccccc12
InChIInChI=1S/C13H13BrO/c1-2-13(15)11-7-8-12(14)10-6-4-3-5-9(10)11/h3-8,13,15H,2H2,1H3
InChIKeyJZVICUREUQMFSZ-UHFFFAOYSA-N
MW265.15 g/mol
LogP4.05
Rot. Bonds2

About 1-(4-bromonaphthalen-1-yl)propan-1-ol

1-(4-bromonaphthalen-1-yl)propan-1-ol (PubChem CID 79597638) has the molecular formula C13H13BrO and a molecular weight of 265.15 g/mol. Its IUPAC name is 1-(4-bromonaphthalen-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromonaphthalen-1-yl)propan-1-ol
PubChem CID79597638
Molecular FormulaC13H13BrO
Molecular Weight265.15 g/mol
Exact Mass264.01
IUPAC Name1-(4-bromonaphthalen-1-yl)propan-1-ol
SMILESCCC(O)c1ccc(Br)c2ccccc12
InChIInChI=1S/C13H13BrO/c1-2-13(15)11-7-8-12(14)10-6-4-3-5-9(10)11/h3-8,13,15H,2H2,1H3
InChIKeyJZVICUREUQMFSZ-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromonaphthalen-1-yl)-4-methylpentan-1-ol
CID 79597706
1-(4-methylnaphthalen-1-yl)propan-1-ol
CID 10856503
1-(4-bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol
CID 79590447
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
1-bromo-4-(1-chloro-2-methylbutyl)naphthalene
CID 79597577
(2S)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid
CID 131510376
(2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid
CID 131393166
1,4-dibromonaphthalene
CID 162208061
(4-bromonaphthalen-1-yl)-cyclohexylmethanol
CID 79596872
(4-bromonaphthalen-1-yl)-(2,2-dimethylcyclopropyl)methanol
CID 107002540
(2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 114560508
(4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol
CID 79596868

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromonaphthalen-1-yl)propan-1-ol?
The IUPAC name of 1-(4-bromonaphthalen-1-yl)propan-1-ol (CID 79597638) is 1-(4-bromonaphthalen-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4-bromonaphthalen-1-yl)propan-1-ol?
The canonical SMILES for 1-(4-bromonaphthalen-1-yl)propan-1-ol is CCC(O)c1ccc(Br)c2ccccc12.
What is the InChIKey of 1-(4-bromonaphthalen-1-yl)propan-1-ol?
The InChIKey is JZVICUREUQMFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO/c1-2-13(15)11-7-8-12(14)10-6-4-3-5-9(10)11/h3-8,13,15H,2H2,1H3.
What are the key properties of 1-(4-bromonaphthalen-1-yl)propan-1-ol?
1-(4-bromonaphthalen-1-yl)propan-1-ol has a molecular weight of 265.15 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromonaphthalen-1-yl)propan-1-ol is sourced from PubChem (CID 79597638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).