1-(2-bromo-3,4-dihydronaphthalen-1-yl)pentan-1-ol

C15H19BrO — CID 66554069

IUPAC1-(2-bromo-3,4-dihydronaphthalen-1-yl)pentan-1-ol
SMILESCCCCC(O)C1=C(Br)CCc2ccccc21
InChIInChI=1S/C15H19BrO/c1-2-3-8-14(17)15-12-7-5-4-6-11(12)9-10-13(15)16/h4-7,14,17H,2-3,8-10H2,1H3
InChIKeyLLNSHTSGELNUSW-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.29
Rot. Bonds4

About 1-(2-bromo-3,4-dihydronaphthalen-1-yl)pentan-1-ol

1-(2-bromo-3,4-dihydronaphthalen-1-yl)pentan-1-ol (PubChem CID 66554069) has the molecular formula C15H19BrO and a molecular weight of 295.22 g/mol. Its IUPAC name is 1-(2-bromo-3,4-dihydronaphthalen-1-yl)pentan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-3,4-dihydronaphthalen-1-yl)pentan-1-ol
PubChem CID66554069
Molecular FormulaC15H19BrO
Molecular Weight295.22 g/mol
Exact Mass294.06
IUPAC Name1-(2-bromo-3,4-dihydronaphthalen-1-yl)pentan-1-ol
SMILESCCCCC(O)C1=C(Br)CCc2ccccc21
InChIInChI=1S/C15H19BrO/c1-2-3-8-14(17)15-12-7-5-4-6-11(12)9-10-13(15)16/h4-7,14,17H,2-3,8-10H2,1H3
InChIKeyLLNSHTSGELNUSW-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,4-dihydronaphthalen-1-yl)pentan-1-ol?
The IUPAC name of 1-(2-bromo-3,4-dihydronaphthalen-1-yl)pentan-1-ol (CID 66554069) is 1-(2-bromo-3,4-dihydronaphthalen-1-yl)pentan-1-ol.
What is the SMILES notation for 1-(2-bromo-3,4-dihydronaphthalen-1-yl)pentan-1-ol?
The canonical SMILES for 1-(2-bromo-3,4-dihydronaphthalen-1-yl)pentan-1-ol is CCCCC(O)C1=C(Br)CCc2ccccc21.
What is the InChIKey of 1-(2-bromo-3,4-dihydronaphthalen-1-yl)pentan-1-ol?
The InChIKey is LLNSHTSGELNUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO/c1-2-3-8-14(17)15-12-7-5-4-6-11(12)9-10-13(15)16/h4-7,14,17H,2-3,8-10H2,1H3.
What are the key properties of 1-(2-bromo-3,4-dihydronaphthalen-1-yl)pentan-1-ol?
1-(2-bromo-3,4-dihydronaphthalen-1-yl)pentan-1-ol has a molecular weight of 295.22 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,4-dihydronaphthalen-1-yl)pentan-1-ol is sourced from PubChem (CID 66554069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).