3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol

C17H25BrO — CID 23498867

IUPAC3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(CCCO)c(Br)cc21
InChIInChI=1S/C17H25BrO/c1-16(2)7-8-17(3,4)14-11-15(18)12(6-5-9-19)10-13(14)16/h10-11,19H,5-9H2,1-4H3
InChIKeyDKAYTFCLIZOBOV-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.72
Rot. Bonds3

About 3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol

3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol (PubChem CID 23498867) has the molecular formula C17H25BrO and a molecular weight of 325.29 g/mol. Its IUPAC name is 3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol
PubChem CID23498867
Molecular FormulaC17H25BrO
Molecular Weight325.29 g/mol
Exact Mass324.11
IUPAC Name3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(CCCO)c(Br)cc21
InChIInChI=1S/C17H25BrO/c1-16(2)7-8-17(3,4)14-11-15(18)12(6-5-9-19)10-13(14)16/h10-11,19H,5-9H2,1-4H3
InChIKeyDKAYTFCLIZOBOV-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-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 3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol?
The IUPAC name of 3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol (CID 23498867) is 3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol.
What is the SMILES notation for 3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol?
The canonical SMILES for 3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol is CC1(C)CCC(C)(C)c2cc(CCCO)c(Br)cc21.
What is the InChIKey of 3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol?
The InChIKey is DKAYTFCLIZOBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrO/c1-16(2)7-8-17(3,4)14-11-15(18)12(6-5-9-19)10-13(14)16/h10-11,19H,5-9H2,1-4H3.
What are the key properties of 3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol?
3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol has a molecular weight of 325.29 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol is sourced from PubChem (CID 23498867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).