[1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol

C16H22O3 — CID 116874726

IUPAC[1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol
SMILESCOc1cc(C)c(C)cc1C1(C2(CO)CC2)COC1
InChIInChI=1S/C16H22O3/c1-11-6-13(14(18-3)7-12(11)2)16(9-19-10-16)15(8-17)4-5-15/h6-7,17H,4-5,8-10H2,1-3H3
InChIKeyGELARPQWXLTHSY-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.35
Rot. Bonds4

About [1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol

[1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol (PubChem CID 116874726) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is [1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol
PubChem CID116874726
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name[1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol
SMILESCOc1cc(C)c(C)cc1C1(C2(CO)CC2)COC1
InChIInChI=1S/C16H22O3/c1-11-6-13(14(18-3)7-12(11)2)16(9-19-10-16)15(8-17)4-5-15/h6-7,17H,4-5,8-10H2,1-3H3
InChIKeyGELARPQWXLTHSY-UHFFFAOYSA-N
XLogP2.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874725
[1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874743
[3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248783
[3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol
CID 116930388
[1-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropyl]methanol
CID 116928883
[1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclobutyl]methanol
CID 116875023
ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate
CID 116875799
[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol
CID 116829719
3-(2-methoxy-4,5-dimethylphenyl)-3-(trifluoromethyl)oxetane
CID 116875861
2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid
CID 116874328
3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
CID 116870043
[1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874803

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol?
The IUPAC name of [1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol (CID 116874726) is [1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol.
What is the SMILES notation for [1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol?
The canonical SMILES for [1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol is COc1cc(C)c(C)cc1C1(C2(CO)CC2)COC1.
What is the InChIKey of [1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol?
The InChIKey is GELARPQWXLTHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11-6-13(14(18-3)7-12(11)2)16(9-19-10-16)15(8-17)4-5-15/h6-7,17H,4-5,8-10H2,1-3H3.
What are the key properties of [1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol?
[1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol has a molecular weight of 262.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol is sourced from PubChem (CID 116874726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).