1-(1-bromoethyl)-8-ethylnaphthalene

C14H15Br — CID 174593653

IUPAC1-(1-bromoethyl)-8-ethylnaphthalene
SMILESCCc1cccc2cccc(C(C)Br)c12
InChIInChI=1S/C14H15Br/c1-3-11-6-4-7-12-8-5-9-13(10(2)15)14(11)12/h4-10H,3H2,1-2H3
InChIKeyBNVPAYSJXWKCGT-UHFFFAOYSA-N
MW263.18 g/mol
LogP4.86
Rot. Bonds2

About 1-(1-bromoethyl)-8-ethylnaphthalene

1-(1-bromoethyl)-8-ethylnaphthalene (PubChem CID 174593653) has the molecular formula C14H15Br and a molecular weight of 263.18 g/mol. Its IUPAC name is 1-(1-bromoethyl)-8-ethylnaphthalene.

Molecular Properties

Compound Name1-(1-bromoethyl)-8-ethylnaphthalene
PubChem CID174593653
Molecular FormulaC14H15Br
Molecular Weight263.18 g/mol
Exact Mass262.04
IUPAC Name1-(1-bromoethyl)-8-ethylnaphthalene
SMILESCCc1cccc2cccc(C(C)Br)c12
InChIInChI=1S/C14H15Br/c1-3-11-6-4-7-12-8-5-9-13(10(2)15)14(11)12/h4-10H,3H2,1-2H3
InChIKeyBNVPAYSJXWKCGT-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-4-propan-2-ylnaphthalen-2-ol
CID 166533328
(8-ethylnaphthalen-1-yl)methanol
CID 59514335
2-(8-propan-2-ylnaphthalen-1-yl)acetaldehyde
CID 172627753
1-(1-bromoethyl)-4-ethyl-2,3-dimethylbenzene
CID 174819703
1-ethylnaphthalene;pyrene
CID 174849884
2-chloro-8-ethyl-1-methylnaphthalene
CID 164922444
8-ethylnaphthalene-1-sulfonic acid
CID 101314983
1-ethyl-2-fluoro-3-propan-2-ylbenzene
CID 54146426
1-(2,3-diethylphenyl)ethanamine
CID 130066606
1-ethyl-9-methylidenephenalene
CID 149380156
1-bromo-1-[3-(bromomethyl)-2-ethylphenyl]propan-2-one
CID 131495674
(8-ethylnaphthalen-1-yl)oxyboronic acid
CID 175971110

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromoethyl)-8-ethylnaphthalene?
The IUPAC name of 1-(1-bromoethyl)-8-ethylnaphthalene (CID 174593653) is 1-(1-bromoethyl)-8-ethylnaphthalene.
What is the SMILES notation for 1-(1-bromoethyl)-8-ethylnaphthalene?
The canonical SMILES for 1-(1-bromoethyl)-8-ethylnaphthalene is CCc1cccc2cccc(C(C)Br)c12.
What is the InChIKey of 1-(1-bromoethyl)-8-ethylnaphthalene?
The InChIKey is BNVPAYSJXWKCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br/c1-3-11-6-4-7-12-8-5-9-13(10(2)15)14(11)12/h4-10H,3H2,1-2H3.
What are the key properties of 1-(1-bromoethyl)-8-ethylnaphthalene?
1-(1-bromoethyl)-8-ethylnaphthalene has a molecular weight of 263.18 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromoethyl)-8-ethylnaphthalene is sourced from PubChem (CID 174593653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).