1-bromo-2-(3-methylbut-3-enoxy)naphthalene

C15H15BrO — CID 114472659

IUPAC1-bromo-2-(3-methylbut-3-enoxy)naphthalene
SMILESC=C(C)CCOc1ccc2ccccc2c1Br
InChIInChI=1S/C15H15BrO/c1-11(2)9-10-17-14-8-7-12-5-3-4-6-13(12)15(14)16/h3-8H,1,9-10H2,2H3
InChIKeyAEIQQQNQMZXPFE-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.95
Rot. Bonds4

About 1-bromo-2-(3-methylbut-3-enoxy)naphthalene

1-bromo-2-(3-methylbut-3-enoxy)naphthalene (PubChem CID 114472659) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-bromo-2-(3-methylbut-3-enoxy)naphthalene.

Molecular Properties

Compound Name1-bromo-2-(3-methylbut-3-enoxy)naphthalene
PubChem CID114472659
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name1-bromo-2-(3-methylbut-3-enoxy)naphthalene
SMILESC=C(C)CCOc1ccc2ccccc2c1Br
InChIInChI=1S/C15H15BrO/c1-11(2)9-10-17-14-8-7-12-5-3-4-6-13(12)15(14)16/h3-8H,1,9-10H2,2H3
InChIKeyAEIQQQNQMZXPFE-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-(3-methylbut-3-enoxy)naphthalen-1-yl]boronic acid
CID 114472965
1-bromo-2-nonoxynaphthalene
CID 63529773
1-bromo-2-(2-propoxyethoxy)naphthalene
CID 106452980
4-(3-methylbut-3-enoxy)naphthalene-1-carbonitrile
CID 114088515
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine
CID 63517046
1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene
CID 102526122
2-bromo-4-fluoro-1-(3-methylbut-3-enoxy)benzene
CID 114472657
4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide
CID 114473017
1,2-bis(2-methylprop-2-enoxy)naphthalene
CID 139631746
2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide
CID 112774907
1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine
CID 63529278

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(3-methylbut-3-enoxy)naphthalene?
The IUPAC name of 1-bromo-2-(3-methylbut-3-enoxy)naphthalene (CID 114472659) is 1-bromo-2-(3-methylbut-3-enoxy)naphthalene.
What is the SMILES notation for 1-bromo-2-(3-methylbut-3-enoxy)naphthalene?
The canonical SMILES for 1-bromo-2-(3-methylbut-3-enoxy)naphthalene is C=C(C)CCOc1ccc2ccccc2c1Br.
What is the InChIKey of 1-bromo-2-(3-methylbut-3-enoxy)naphthalene?
The InChIKey is AEIQQQNQMZXPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO/c1-11(2)9-10-17-14-8-7-12-5-3-4-6-13(12)15(14)16/h3-8H,1,9-10H2,2H3.
What are the key properties of 1-bromo-2-(3-methylbut-3-enoxy)naphthalene?
1-bromo-2-(3-methylbut-3-enoxy)naphthalene has a molecular weight of 291.19 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(3-methylbut-3-enoxy)naphthalene is sourced from PubChem (CID 114472659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).