3-[(4-methoxyphenyl)methyl]-2,3-dimethyloxetane

C13H18O2 — CID 175415747

IUPAC3-[(4-methoxyphenyl)methyl]-2,3-dimethyloxetane
SMILESCOc1ccc(CC2(C)COC2C)cc1
InChIInChI=1S/C13H18O2/c1-10-13(2,9-15-10)8-11-4-6-12(14-3)7-5-11/h4-7,10H,8-9H2,1-3H3
InChIKeyBWQWBFSQYAXIFU-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.66
Rot. Bonds3

About 3-[(4-methoxyphenyl)methyl]-2,3-dimethyloxetane

3-[(4-methoxyphenyl)methyl]-2,3-dimethyloxetane (PubChem CID 175415747) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-2,3-dimethyloxetane.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-2,3-dimethyloxetane
PubChem CID175415747
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name3-[(4-methoxyphenyl)methyl]-2,3-dimethyloxetane
SMILESCOc1ccc(CC2(C)COC2C)cc1
InChIInChI=1S/C13H18O2/c1-10-13(2,9-15-10)8-11-4-6-12(14-3)7-5-11/h4-7,10H,8-9H2,1-3H3
InChIKeyBWQWBFSQYAXIFU-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine;hydrochloride
CID 71756717
1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
CID 70921631
2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid
CID 63271050
3-[(4-methoxyphenyl)methyl]oxetan-3-ol
CID 83685421
2-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-oxazinane
CID 117226923
(1S,6R)-1-[(4-methoxyphenyl)methyl]-3-methylbicyclo[4.1.0]heptane
CID 177443332
6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331242
1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride
CID 75361270
(3S)-3-[(4-methoxyphenyl)methyl]-3-methyl-2H-1-benzofuran
CID 122398318
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
1-[2-[(1R,2S)-2-chloro-1-methylcyclopropyl]ethyl]-4-methoxybenzene
CID 101110349
1-[2-[(1R,2R)-2-chloro-1-methylcyclopropyl]ethyl]-4-methoxybenzene
CID 101110346

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-2,3-dimethyloxetane?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-2,3-dimethyloxetane (CID 175415747) is 3-[(4-methoxyphenyl)methyl]-2,3-dimethyloxetane.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-2,3-dimethyloxetane?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-2,3-dimethyloxetane is COc1ccc(CC2(C)COC2C)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-2,3-dimethyloxetane?
The InChIKey is BWQWBFSQYAXIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10-13(2,9-15-10)8-11-4-6-12(14-3)7-5-11/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-2,3-dimethyloxetane?
3-[(4-methoxyphenyl)methyl]-2,3-dimethyloxetane has a molecular weight of 206.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-2,3-dimethyloxetane is sourced from PubChem (CID 175415747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).