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

C16H19BrO — CID 79597706

IUPAC1-(4-bromonaphthalen-1-yl)-4-methylpentan-1-ol
SMILESCC(C)CCC(O)c1ccc(Br)c2ccccc12
InChIInChI=1S/C16H19BrO/c1-11(2)7-10-16(18)14-8-9-15(17)13-6-4-3-5-12(13)14/h3-6,8-9,11,16,18H,7,10H2,1-2H3
InChIKeyVOXUIJVKTLTDSL-UHFFFAOYSA-N
MW307.23 g/mol
LogP5.07
Rot. Bonds4

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

1-(4-bromonaphthalen-1-yl)-4-methylpentan-1-ol (PubChem CID 79597706) has the molecular formula C16H19BrO and a molecular weight of 307.23 g/mol. Its IUPAC name is 1-(4-bromonaphthalen-1-yl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(4-bromonaphthalen-1-yl)-4-methylpentan-1-ol
PubChem CID79597706
Molecular FormulaC16H19BrO
Molecular Weight307.23 g/mol
Exact Mass306.06
IUPAC Name1-(4-bromonaphthalen-1-yl)-4-methylpentan-1-ol
SMILESCC(C)CCC(O)c1ccc(Br)c2ccccc12
InChIInChI=1S/C16H19BrO/c1-11(2)7-10-16(18)14-8-9-15(17)13-6-4-3-5-12(13)14/h3-6,8-9,11,16,18H,7,10H2,1-2H3
InChIKeyVOXUIJVKTLTDSL-UHFFFAOYSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.23
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromonaphthalen-1-yl)propan-1-ol
CID 79597638
1-(4-bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol
CID 79590447
1-(3-bromo-2-chlorophenyl)-4-methylpentan-1-ol
CID 115783703
1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol
CID 79597707
(2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid
CID 131393166
(2S)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid
CID 131510376
1-bromo-4-(1-chloro-2-methylbutyl)naphthalene
CID 79597577
1,4-dibromonaphthalene
CID 162208061
2-[(1S)-1-hydroxy-5-methylhexyl]naphthalen-1-ol
CID 70490928
(4-bromonaphthalen-1-yl)-cyclohexylmethanol
CID 79596872
1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol
CID 103433099
3-[benzyl(2-methylpropyl)amino]-1-(4-methylnaphthalen-1-yl)propan-1-ol
CID 59570754

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromonaphthalen-1-yl)-4-methylpentan-1-ol?
The IUPAC name of 1-(4-bromonaphthalen-1-yl)-4-methylpentan-1-ol (CID 79597706) is 1-(4-bromonaphthalen-1-yl)-4-methylpentan-1-ol.
What is the SMILES notation for 1-(4-bromonaphthalen-1-yl)-4-methylpentan-1-ol?
The canonical SMILES for 1-(4-bromonaphthalen-1-yl)-4-methylpentan-1-ol is CC(C)CCC(O)c1ccc(Br)c2ccccc12.
What is the InChIKey of 1-(4-bromonaphthalen-1-yl)-4-methylpentan-1-ol?
The InChIKey is VOXUIJVKTLTDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrO/c1-11(2)7-10-16(18)14-8-9-15(17)13-6-4-3-5-12(13)14/h3-6,8-9,11,16,18H,7,10H2,1-2H3.
What are the key properties of 1-(4-bromonaphthalen-1-yl)-4-methylpentan-1-ol?
1-(4-bromonaphthalen-1-yl)-4-methylpentan-1-ol has a molecular weight of 307.23 g/mol, XLogP of 5.07, 4 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)-4-methylpentan-1-ol is sourced from PubChem (CID 79597706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).