6-bromo-2-propyl-3,4-dihydro-1H-naphthalen-2-ol

C13H17BrO — CID 63632723

IUPAC6-bromo-2-propyl-3,4-dihydro-1H-naphthalen-2-ol
SMILESCCCC1(O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C13H17BrO/c1-2-6-13(15)7-5-10-8-12(14)4-3-11(10)9-13/h3-4,8,15H,2,5-7,9H2,1H3
InChIKeyYSNAVVIHSKNUDM-UHFFFAOYSA-N
MW269.18 g/mol
LogP3.47
Rot. Bonds2

About 6-bromo-2-propyl-3,4-dihydro-1H-naphthalen-2-ol

6-bromo-2-propyl-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 63632723) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 6-bromo-2-propyl-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-2-propyl-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID63632723
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name6-bromo-2-propyl-3,4-dihydro-1H-naphthalen-2-ol
SMILESCCCC1(O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C13H17BrO/c1-2-6-13(15)7-5-10-8-12(14)4-3-11(10)9-13/h3-4,8,15H,2,5-7,9H2,1H3
InChIKeyYSNAVVIHSKNUDM-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-propyl-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 6-bromo-2-propyl-3,4-dihydro-1H-naphthalen-2-ol (CID 63632723) is 6-bromo-2-propyl-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 6-bromo-2-propyl-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 6-bromo-2-propyl-3,4-dihydro-1H-naphthalen-2-ol is CCCC1(O)CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-2-propyl-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is YSNAVVIHSKNUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c1-2-6-13(15)7-5-10-8-12(14)4-3-11(10)9-13/h3-4,8,15H,2,5-7,9H2,1H3.
What are the key properties of 6-bromo-2-propyl-3,4-dihydro-1H-naphthalen-2-ol?
6-bromo-2-propyl-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 269.18 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-propyl-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 63632723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).