7-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-ol

C12H15BrO — CID 14819405

IUPAC7-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-ol
SMILESCC1(C)Cc2ccc(Br)cc2C(O)C1
InChIInChI=1S/C12H15BrO/c1-12(2)6-8-3-4-9(13)5-10(8)11(14)7-12/h3-5,11,14H,6-7H2,1-2H3
InChIKeyLKEXJUQBNCZOFM-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.45
Rot. Bonds

About 7-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-ol

7-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-ol (PubChem CID 14819405) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 7-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-ol.

Molecular Properties

Compound Name7-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-ol
PubChem CID14819405
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name7-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-ol
SMILESCC1(C)Cc2ccc(Br)cc2C(O)C1
InChIInChI=1S/C12H15BrO/c1-12(2)6-8-3-4-9(13)5-10(8)11(14)7-12/h3-5,11,14H,6-7H2,1-2H3
InChIKeyLKEXJUQBNCZOFM-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-ol?
The IUPAC name of 7-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-ol (CID 14819405) is 7-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-ol.
What is the SMILES notation for 7-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-ol?
The canonical SMILES for 7-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-ol is CC1(C)Cc2ccc(Br)cc2C(O)C1.
What is the InChIKey of 7-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-ol?
The InChIKey is LKEXJUQBNCZOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-12(2)6-8-3-4-9(13)5-10(8)11(14)7-12/h3-5,11,14H,6-7H2,1-2H3.
What are the key properties of 7-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-ol?
7-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-ol has a molecular weight of 255.15 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-ol is sourced from PubChem (CID 14819405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).