6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene

C12H15Br — CID 10537940

IUPAC6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene
SMILESCC1(C)CCCc2ccc(Br)cc21
InChIInChI=1S/C12H15Br/c1-12(2)7-3-4-9-5-6-10(13)8-11(9)12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyVUAGQOMMVXBEDN-UHFFFAOYSA-N
MW239.16 g/mol
LogP4.06
Rot. Bonds

About 6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene

6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene (PubChem CID 10537940) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is 6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene
PubChem CID10537940
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene
SMILESCC1(C)CCCc2ccc(Br)cc21
InChIInChI=1S/C12H15Br/c1-12(2)7-3-4-9-5-6-10(13)8-11(9)12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyVUAGQOMMVXBEDN-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The IUPAC name of 6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene (CID 10537940) is 6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene is CC1(C)CCCc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The InChIKey is VUAGQOMMVXBEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br/c1-12(2)7-3-4-9-5-6-10(13)8-11(9)12/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene has a molecular weight of 239.16 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 10537940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).