1-bromo-3,7-di(propan-2-yl)naphthalene

C16H19Br — CID 172853176

IUPAC1-bromo-3,7-di(propan-2-yl)naphthalene
SMILESCC(C)c1cc(Br)c2cc(C(C)C)ccc2c1
InChIInChI=1S/C16H19Br/c1-10(2)12-5-6-13-7-14(11(3)4)9-16(17)15(13)8-12/h5-11H,1-4H3
InChIKeyYIOPWIUWUHXDKK-UHFFFAOYSA-N
MW291.23 g/mol
LogP5.85
Rot. Bonds2

About 1-bromo-3,7-di(propan-2-yl)naphthalene

1-bromo-3,7-di(propan-2-yl)naphthalene (PubChem CID 172853176) has the molecular formula C16H19Br and a molecular weight of 291.23 g/mol. Its IUPAC name is 1-bromo-3,7-di(propan-2-yl)naphthalene.

Molecular Properties

Compound Name1-bromo-3,7-di(propan-2-yl)naphthalene
PubChem CID172853176
Molecular FormulaC16H19Br
Molecular Weight291.23 g/mol
Exact Mass290.07
IUPAC Name1-bromo-3,7-di(propan-2-yl)naphthalene
SMILESCC(C)c1cc(Br)c2cc(C(C)C)ccc2c1
InChIInChI=1S/C16H19Br/c1-10(2)12-5-6-13-7-14(11(3)4)9-16(17)15(13)8-12/h5-11H,1-4H3
InChIKeyYIOPWIUWUHXDKK-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.23
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 142320223
2,9-di(propan-2-yl)pentacene
CID 153380534
1-bromo-2-chloro-4-propan-2-ylbenzene
CID 20739733
ethane;2-propan-2-ylnaphthalene
CID 142226111
2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene
CID 59610790
2-propan-2-ylpentacene
CID 153380535
(2-bromo-4-propan-2-ylphenyl)boronic acid
CID 53216504
ethane;3-methyl-6-propan-2-ylphenanthrene
CID 145088146
(1R)-1-(8-bromonaphthalen-2-yl)ethanamine
CID 130625970
1-methyl-6-propan-2-ylnaphthalene
CID 58126565
1,6-di(propan-2-yl)naphthalene
CID 3016596
3-propan-2-ylchrysene
CID 54288405

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,7-di(propan-2-yl)naphthalene?
The IUPAC name of 1-bromo-3,7-di(propan-2-yl)naphthalene (CID 172853176) is 1-bromo-3,7-di(propan-2-yl)naphthalene.
What is the SMILES notation for 1-bromo-3,7-di(propan-2-yl)naphthalene?
The canonical SMILES for 1-bromo-3,7-di(propan-2-yl)naphthalene is CC(C)c1cc(Br)c2cc(C(C)C)ccc2c1.
What is the InChIKey of 1-bromo-3,7-di(propan-2-yl)naphthalene?
The InChIKey is YIOPWIUWUHXDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Br/c1-10(2)12-5-6-13-7-14(11(3)4)9-16(17)15(13)8-12/h5-11H,1-4H3.
What are the key properties of 1-bromo-3,7-di(propan-2-yl)naphthalene?
1-bromo-3,7-di(propan-2-yl)naphthalene has a molecular weight of 291.23 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,7-di(propan-2-yl)naphthalene is sourced from PubChem (CID 172853176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).