acetic acid;6-bromo-4-methyl-1,2-dihydronaphthalene

C13H15BrO2 — CID 67781269

IUPACacetic acid;6-bromo-4-methyl-1,2-dihydronaphthalene
SMILESCC(=O)O.CC1=CCCc2ccc(Br)cc21
InChIInChI=1S/C11H11Br.C2H4O2/c1-8-3-2-4-9-5-6-10(12)7-11(8)9;1-2(3)4/h3,5-7H,2,4H2,1H3;1H3,(H,3,4)
InChIKeyUGIWBNREXRGXBN-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.89
Rot. Bonds

About acetic acid;6-bromo-4-methyl-1,2-dihydronaphthalene

acetic acid;6-bromo-4-methyl-1,2-dihydronaphthalene (PubChem CID 67781269) has the molecular formula C13H15BrO2 and a molecular weight of 283.17 g/mol. Its IUPAC name is acetic acid;6-bromo-4-methyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Nameacetic acid;6-bromo-4-methyl-1,2-dihydronaphthalene
PubChem CID67781269
Molecular FormulaC13H15BrO2
Molecular Weight283.17 g/mol
Exact Mass282.03
IUPAC Nameacetic acid;6-bromo-4-methyl-1,2-dihydronaphthalene
SMILESCC(=O)O.CC1=CCCc2ccc(Br)cc21
InChIInChI=1S/C11H11Br.C2H4O2/c1-8-3-2-4-9-5-6-10(12)7-11(8)9;1-2(3)4/h3,5-7H,2,4H2,1H3;1H3,(H,3,4)
InChIKeyUGIWBNREXRGXBN-UHFFFAOYSA-N
XLogP3.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of acetic acid;6-bromo-4-methyl-1,2-dihydronaphthalene?
The IUPAC name of acetic acid;6-bromo-4-methyl-1,2-dihydronaphthalene (CID 67781269) is acetic acid;6-bromo-4-methyl-1,2-dihydronaphthalene.
What is the SMILES notation for acetic acid;6-bromo-4-methyl-1,2-dihydronaphthalene?
The canonical SMILES for acetic acid;6-bromo-4-methyl-1,2-dihydronaphthalene is CC(=O)O.CC1=CCCc2ccc(Br)cc21.
What is the InChIKey of acetic acid;6-bromo-4-methyl-1,2-dihydronaphthalene?
The InChIKey is UGIWBNREXRGXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br.C2H4O2/c1-8-3-2-4-9-5-6-10(12)7-11(8)9;1-2(3)4/h3,5-7H,2,4H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;6-bromo-4-methyl-1,2-dihydronaphthalene?
acetic acid;6-bromo-4-methyl-1,2-dihydronaphthalene has a molecular weight of 283.17 g/mol, XLogP of 3.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;6-bromo-4-methyl-1,2-dihydronaphthalene is sourced from PubChem (CID 67781269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).