acetic acid;1-bromo-7-methylnaphthalene

C13H13BrO2 — CID 174655473

IUPACacetic acid;1-bromo-7-methylnaphthalene
SMILESCC(=O)O.Cc1ccc2cccc(Br)c2c1
InChIInChI=1S/C11H9Br.C2H4O2/c1-8-5-6-9-3-2-4-11(12)10(9)7-8;1-2(3)4/h2-7H,1H3;1H3,(H,3,4)
InChIKeyIFLHPUXWGMBJGV-UHFFFAOYSA-N
MW281.15 g/mol
LogP4.00
Rot. Bonds

About acetic acid;1-bromo-7-methylnaphthalene

acetic acid;1-bromo-7-methylnaphthalene (PubChem CID 174655473) has the molecular formula C13H13BrO2 and a molecular weight of 281.15 g/mol. Its IUPAC name is acetic acid;1-bromo-7-methylnaphthalene.

Molecular Properties

Compound Nameacetic acid;1-bromo-7-methylnaphthalene
PubChem CID174655473
Molecular FormulaC13H13BrO2
Molecular Weight281.15 g/mol
Exact Mass280.01
IUPAC Nameacetic acid;1-bromo-7-methylnaphthalene
SMILESCC(=O)O.Cc1ccc2cccc(Br)c2c1
InChIInChI=1S/C11H9Br.C2H4O2/c1-8-5-6-9-3-2-4-11(12)10(9)7-8;1-2(3)4/h2-7H,1H3;1H3,(H,3,4)
InChIKeyIFLHPUXWGMBJGV-UHFFFAOYSA-N
XLogP4.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

acetic acid;7-bromo-1-methylnaphthalene
CID 67781344
(7-methylnaphthalen-1-yl) acetate
CID 14143437
1-ethyl-7-methylnaphthalene
CID 12778771
acetic acid;azane;1,3-xylene
CID 21426934
1-bromonaphthalene;ethyl acetate
CID 174701455
ethane;1-ethyl-7-methylnaphthalene
CID 91014752
7-methylnaphthalene-1-sulfinic acid
CID 71250211
11-bromo-2-methylnaphtho[2,3-b]thioxanthen-14-one
CID 59502538
8-bromonaphthalene-2-thiol
CID 168807371
1-(7-methyl-1-phenylnaphthalen-2-yl)ethanone
CID 142221804
7-methylnaphthalene-1-carbaldehyde
CID 15657410
1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;methane;1-(4-methylphenyl)ethanone
CID 160630866

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-bromo-7-methylnaphthalene?
The IUPAC name of acetic acid;1-bromo-7-methylnaphthalene (CID 174655473) is acetic acid;1-bromo-7-methylnaphthalene.
What is the SMILES notation for acetic acid;1-bromo-7-methylnaphthalene?
The canonical SMILES for acetic acid;1-bromo-7-methylnaphthalene is CC(=O)O.Cc1ccc2cccc(Br)c2c1.
What is the InChIKey of acetic acid;1-bromo-7-methylnaphthalene?
The InChIKey is IFLHPUXWGMBJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br.C2H4O2/c1-8-5-6-9-3-2-4-11(12)10(9)7-8;1-2(3)4/h2-7H,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-bromo-7-methylnaphthalene?
acetic acid;1-bromo-7-methylnaphthalene has a molecular weight of 281.15 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-bromo-7-methylnaphthalene is sourced from PubChem (CID 174655473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).