(1R,6R)-8-[(2-methylphenyl)methyl]-2-oxabicyclo[4.2.0]octane

C15H20O — CID 53255147

IUPAC(1R,6R)-8-[(2-methylphenyl)methyl]-2-oxabicyclo[4.2.0]octane
SMILESCc1ccccc1CC1C[C@H]2CCCO[C@@H]12
InChIInChI=1S/C15H20O/c1-11-5-2-3-6-12(11)9-14-10-13-7-4-8-16-15(13)14/h2-3,5-6,13-15H,4,7-10H2,1H3/t13-,14?,15-/m1/s1
InChIKeyYPZOBOGAEWAYKS-GIJJTGMTSA-N
MW216.32 g/mol
LogP3.35
Rot. Bonds2

About (1R,6R)-8-[(2-methylphenyl)methyl]-2-oxabicyclo[4.2.0]octane

(1R,6R)-8-[(2-methylphenyl)methyl]-2-oxabicyclo[4.2.0]octane (PubChem CID 53255147) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (1R,6R)-8-[(2-methylphenyl)methyl]-2-oxabicyclo[4.2.0]octane.

Molecular Properties

Compound Name(1R,6R)-8-[(2-methylphenyl)methyl]-2-oxabicyclo[4.2.0]octane
PubChem CID53255147
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(1R,6R)-8-[(2-methylphenyl)methyl]-2-oxabicyclo[4.2.0]octane
SMILESCc1ccccc1CC1C[C@H]2CCCO[C@@H]12
InChIInChI=1S/C15H20O/c1-11-5-2-3-6-12(11)9-14-10-13-7-4-8-16-15(13)14/h2-3,5-6,13-15H,4,7-10H2,1H3/t13-,14?,15-/m1/s1
InChIKeyYPZOBOGAEWAYKS-GIJJTGMTSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-[(2-methylcyclobutyl)methyl]benzene
CID 163743067
1-methyl-2-[(2-methylphenyl)methyl]cycloheptane
CID 145268468
2-[(2-methylphenyl)methyl]-1,3-oxazinane
CID 117226029
N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine
CID 79763588
3-(chloromethyl)-2-(2-methylphenyl)oxane
CID 79373949
N-ethyl-2-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 61381447
N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033027
1-[(3-bromo-2-methylcyclopentyl)methyl]-2-methylbenzene
CID 64909251
4-tert-butyl-N-methyl-2-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 63401092
2-[(2-methylphenyl)methyl]-4-phenylcyclohexan-1-amine
CID 63401099
N-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017088
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-8-[(2-methylphenyl)methyl]-2-oxabicyclo[4.2.0]octane?
The IUPAC name of (1R,6R)-8-[(2-methylphenyl)methyl]-2-oxabicyclo[4.2.0]octane (CID 53255147) is (1R,6R)-8-[(2-methylphenyl)methyl]-2-oxabicyclo[4.2.0]octane.
What is the SMILES notation for (1R,6R)-8-[(2-methylphenyl)methyl]-2-oxabicyclo[4.2.0]octane?
The canonical SMILES for (1R,6R)-8-[(2-methylphenyl)methyl]-2-oxabicyclo[4.2.0]octane is Cc1ccccc1CC1C[C@H]2CCCO[C@@H]12.
What is the InChIKey of (1R,6R)-8-[(2-methylphenyl)methyl]-2-oxabicyclo[4.2.0]octane?
The InChIKey is YPZOBOGAEWAYKS-GIJJTGMTSA-N. The full InChI is InChI=1S/C15H20O/c1-11-5-2-3-6-12(11)9-14-10-13-7-4-8-16-15(13)14/h2-3,5-6,13-15H,4,7-10H2,1H3/t13-,14?,15-/m1/s1.
What are the key properties of (1R,6R)-8-[(2-methylphenyl)methyl]-2-oxabicyclo[4.2.0]octane?
(1R,6R)-8-[(2-methylphenyl)methyl]-2-oxabicyclo[4.2.0]octane has a molecular weight of 216.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-8-[(2-methylphenyl)methyl]-2-oxabicyclo[4.2.0]octane is sourced from PubChem (CID 53255147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).