acetic acid;7-bromo-1-methylnaphthalene

C13H13BrO2 — CID 67781344

IUPACacetic acid;7-bromo-1-methylnaphthalene
SMILESCC(=O)O.Cc1cccc2ccc(Br)cc12
InChIInChI=1S/C11H9Br.C2H4O2/c1-8-3-2-4-9-5-6-10(12)7-11(8)9;1-2(3)4/h2-7H,1H3;1H3,(H,3,4)
InChIKeyULHNSKGKOCDADK-UHFFFAOYSA-N
MW281.15 g/mol
LogP4.00
Rot. Bonds

About acetic acid;7-bromo-1-methylnaphthalene

acetic acid;7-bromo-1-methylnaphthalene (PubChem CID 67781344) has the molecular formula C13H13BrO2 and a molecular weight of 281.15 g/mol. Its IUPAC name is acetic acid;7-bromo-1-methylnaphthalene.

Molecular Properties

Compound Nameacetic acid;7-bromo-1-methylnaphthalene
PubChem CID67781344
Molecular FormulaC13H13BrO2
Molecular Weight281.15 g/mol
Exact Mass280.01
IUPAC Nameacetic acid;7-bromo-1-methylnaphthalene
SMILESCC(=O)O.Cc1cccc2ccc(Br)cc12
InChIInChI=1S/C11H9Br.C2H4O2/c1-8-3-2-4-9-5-6-10(12)7-11(8)9;1-2(3)4/h2-7H,1H3;1H3,(H,3,4)
InChIKeyULHNSKGKOCDADK-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;1-bromo-7-methylnaphthalene
CID 174655473
carbonic acid;1-methylnaphthalene
CID 66808059
7-bromo-N-methylnaphthalene-1-carboxamide
CID 178046455
7-bromonaphthalene-1-carboxylate;thallium(1+)
CID 22604889
(1E,4E)-1,5-bis(7-bromonaphthalen-1-yl)penta-1,4-dien-3-one
CID 176830336
(8-methylnaphthalen-2-yl)boronic acid
CID 118802367
(5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430855
1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;methane;1-(4-methylphenyl)ethanone
CID 160630866
[2-(6-bromonaphthalen-2-yl)oxy-3-methylphenyl]methanamine
CID 107105947
acetic acid;chrysene
CID 175201446
7-bromo-1-ethylnaphthalene-2-carboxylic acid
CID 115057709
(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430357

Frequently Asked Questions

What is the IUPAC name of acetic acid;7-bromo-1-methylnaphthalene?
The IUPAC name of acetic acid;7-bromo-1-methylnaphthalene (CID 67781344) is acetic acid;7-bromo-1-methylnaphthalene.
What is the SMILES notation for acetic acid;7-bromo-1-methylnaphthalene?
The canonical SMILES for acetic acid;7-bromo-1-methylnaphthalene is CC(=O)O.Cc1cccc2ccc(Br)cc12.
What is the InChIKey of acetic acid;7-bromo-1-methylnaphthalene?
The InChIKey is ULHNSKGKOCDADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br.C2H4O2/c1-8-3-2-4-9-5-6-10(12)7-11(8)9;1-2(3)4/h2-7H,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;7-bromo-1-methylnaphthalene?
acetic acid;7-bromo-1-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;7-bromo-1-methylnaphthalene is sourced from PubChem (CID 67781344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).