6-bromo-2-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol

C15H21BrO — CID 65145586

IUPAC6-bromo-2-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCCC(C)CC1(O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H21BrO/c1-3-11(2)9-15(17)7-6-12-8-14(16)5-4-13(12)10-15/h4-5,8,11,17H,3,6-7,9-10H2,1-2H3
InChIKeyYYHVPQCVGFVISA-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.11
Rot. Bonds3

About 6-bromo-2-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol

6-bromo-2-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 65145586) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is 6-bromo-2-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-2-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID65145586
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name6-bromo-2-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCCC(C)CC1(O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H21BrO/c1-3-11(2)9-15(17)7-6-12-8-14(16)5-4-13(12)10-15/h4-5,8,11,17H,3,6-7,9-10H2,1-2H3
InChIKeyYYHVPQCVGFVISA-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 6-bromo-2-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol (CID 65145586) is 6-bromo-2-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 6-bromo-2-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 6-bromo-2-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol is CCC(C)CC1(O)CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-2-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is YYHVPQCVGFVISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c1-3-11(2)9-15(17)7-6-12-8-14(16)5-4-13(12)10-15/h4-5,8,11,17H,3,6-7,9-10H2,1-2H3.
What are the key properties of 6-bromo-2-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol?
6-bromo-2-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 297.24 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 65145586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).