6-bromo-1-ethyl-4,4-dimethyl-2,3-dihydronaphthalen-1-ol

C14H19BrO — CID 22218273

IUPAC6-bromo-1-ethyl-4,4-dimethyl-2,3-dihydronaphthalen-1-ol
SMILESCCC1(O)CCC(C)(C)c2cc(Br)ccc21
InChIInChI=1S/C14H19BrO/c1-4-14(16)8-7-13(2,3)12-9-10(15)5-6-11(12)14/h5-6,9,16H,4,7-8H2,1-3H3
InChIKeyFNNACGFYJQDXTG-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.12
Rot. Bonds1

About 6-bromo-1-ethyl-4,4-dimethyl-2,3-dihydronaphthalen-1-ol

6-bromo-1-ethyl-4,4-dimethyl-2,3-dihydronaphthalen-1-ol (PubChem CID 22218273) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 6-bromo-1-ethyl-4,4-dimethyl-2,3-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name6-bromo-1-ethyl-4,4-dimethyl-2,3-dihydronaphthalen-1-ol
PubChem CID22218273
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name6-bromo-1-ethyl-4,4-dimethyl-2,3-dihydronaphthalen-1-ol
SMILESCCC1(O)CCC(C)(C)c2cc(Br)ccc21
InChIInChI=1S/C14H19BrO/c1-4-14(16)8-7-13(2,3)12-9-10(15)5-6-11(12)14/h5-6,9,16H,4,7-8H2,1-3H3
InChIKeyFNNACGFYJQDXTG-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-1-ethyl-4,4-dimethyl-2,3-dihydronaphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-ethyl-4,4-dimethyl-2,3-dihydronaphthalen-1-ol?
The IUPAC name of 6-bromo-1-ethyl-4,4-dimethyl-2,3-dihydronaphthalen-1-ol (CID 22218273) is 6-bromo-1-ethyl-4,4-dimethyl-2,3-dihydronaphthalen-1-ol.
What is the SMILES notation for 6-bromo-1-ethyl-4,4-dimethyl-2,3-dihydronaphthalen-1-ol?
The canonical SMILES for 6-bromo-1-ethyl-4,4-dimethyl-2,3-dihydronaphthalen-1-ol is CCC1(O)CCC(C)(C)c2cc(Br)ccc21.
What is the InChIKey of 6-bromo-1-ethyl-4,4-dimethyl-2,3-dihydronaphthalen-1-ol?
The InChIKey is FNNACGFYJQDXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-4-14(16)8-7-13(2,3)12-9-10(15)5-6-11(12)14/h5-6,9,16H,4,7-8H2,1-3H3.
What are the key properties of 6-bromo-1-ethyl-4,4-dimethyl-2,3-dihydronaphthalen-1-ol?
6-bromo-1-ethyl-4,4-dimethyl-2,3-dihydronaphthalen-1-ol has a molecular weight of 283.21 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-ethyl-4,4-dimethyl-2,3-dihydronaphthalen-1-ol is sourced from PubChem (CID 22218273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).