(6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol

C15H15BrO2 — CID 115798116

IUPAC(6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol
SMILESOC(c1ccc2cc(Br)ccc2c1)C1CCOC1
InChIInChI=1S/C15H15BrO2/c16-14-4-3-10-7-12(2-1-11(10)8-14)15(17)13-5-6-18-9-13/h1-4,7-8,13,15,17H,5-6,9H2
InChIKeyHJGUDBRVKPYPJH-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.67
Rot. Bonds2

About (6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol

(6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol (PubChem CID 115798116) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol
PubChem CID115798116
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name(6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol
SMILESOC(c1ccc2cc(Br)ccc2c1)C1CCOC1
InChIInChI=1S/C15H15BrO2/c16-14-4-3-10-7-12(2-1-11(10)8-14)15(17)13-5-6-18-9-13/h1-4,7-8,13,15,17H,5-6,9H2
InChIKeyHJGUDBRVKPYPJH-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromophenyl)-(oxolan-3-yl)methanol
CID 61277086
(4-bromophenyl)-(oxan-3-yl)methanol
CID 63015439
oxolan-3-yl(quinolin-7-yl)methanol
CID 81215665
[(6-bromonaphthalen-2-yl)-(oxan-3-yl)methyl]hydrazine
CID 107139831
(5-bromo-1-benzofuran-2-yl)-(oxolan-3-yl)methanamine
CID 113483617
(3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol
CID 79746537
(2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol
CID 61277701
(3,5-dichlorophenyl)-(oxolan-3-yl)methanol
CID 63899921
oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63893773
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(oxolan-3-yl)methanol
CID 61277092
(3,5-dibromophenyl)-(oxan-4-yl)methanol
CID 107978364
furan-3-yl(oxolan-3-yl)methanol
CID 63894971

Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol?
The IUPAC name of (6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol (CID 115798116) is (6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol.
What is the SMILES notation for (6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol?
The canonical SMILES for (6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol is OC(c1ccc2cc(Br)ccc2c1)C1CCOC1.
What is the InChIKey of (6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol?
The InChIKey is HJGUDBRVKPYPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c16-14-4-3-10-7-12(2-1-11(10)8-14)15(17)13-5-6-18-9-13/h1-4,7-8,13,15,17H,5-6,9H2.
What are the key properties of (6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol?
(6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol has a molecular weight of 307.19 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol is sourced from PubChem (CID 115798116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).