oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol

C16H22O2 — CID 63015264

IUPACoxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
SMILESOC(c1ccc2c(c1)CCCC2)C1CCCOC1
InChIInChI=1S/C16H22O2/c17-16(15-6-3-9-18-11-15)14-8-7-12-4-1-2-5-13(12)10-14/h7-8,10,15-17H,1-6,9,11H2
InChIKeyWKXGRQBENKOVJK-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.03
Rot. Bonds2

About oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol

oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol (PubChem CID 63015264) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol.

Molecular Properties

Compound Nameoxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
PubChem CID63015264
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Nameoxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
SMILESOC(c1ccc2c(c1)CCCC2)C1CCCOC1
InChIInChI=1S/C16H22O2/c17-16(15-6-3-9-18-11-15)14-8-7-12-4-1-2-5-13(12)10-14/h7-8,10,15-17H,1-6,9,11H2
InChIKeyWKXGRQBENKOVJK-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclooctyl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65023370
(4-bromophenyl)-(oxan-3-yl)methanol
CID 63015439
(3-aminophenyl)-(oxan-3-yl)methanol
CID 107136268
(4-ethylphenyl)-(oxan-3-yl)methanol
CID 63014910
(3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol
CID 79746537
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methanol
CID 107294006
(4-methylsulfanylphenyl)-(oxan-3-yl)methanol
CID 107136272
8-[hydroxy(oxolan-3-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104526261
oxan-3-yl(quinolin-7-yl)methanol
CID 81216710
oxan-3-yl(quinolin-6-yl)methanol
CID 81215748
oxan-3-yl(thiophen-3-yl)methanol
CID 65099967
(3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol
CID 107136132

Frequently Asked Questions

What is the IUPAC name of oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol?
The IUPAC name of oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol (CID 63015264) is oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol.
What is the SMILES notation for oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol?
The canonical SMILES for oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol is OC(c1ccc2c(c1)CCCC2)C1CCCOC1.
What is the InChIKey of oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol?
The InChIKey is WKXGRQBENKOVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c17-16(15-6-3-9-18-11-15)14-8-7-12-4-1-2-5-13(12)10-14/h7-8,10,15-17H,1-6,9,11H2.
What are the key properties of oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol?
oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol has a molecular weight of 246.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol is sourced from PubChem (CID 63015264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).