3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol

C13H18O3 — CID 116872986

IUPAC3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol
SMILESCOc1cc(C(C)C)ccc1C1(O)COC1
InChIInChI=1S/C13H18O3/c1-9(2)10-4-5-11(12(6-10)15-3)13(14)7-16-8-13/h4-6,9,14H,7-8H2,1-3H3
InChIKeyACPVLDXDEDPLKP-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.04
Rot. Bonds3

About 3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol

3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol (PubChem CID 116872986) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol.

Molecular Properties

Compound Name3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol
PubChem CID116872986
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol
SMILESCOc1cc(C(C)C)ccc1C1(O)COC1
InChIInChI=1S/C13H18O3/c1-9(2)10-4-5-11(12(6-10)15-3)13(14)7-16-8-13/h4-6,9,14H,7-8H2,1-3H3
InChIKeyACPVLDXDEDPLKP-UHFFFAOYSA-N
XLogP2.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxy-4-propan-2-ylphenyl)oxetane-3-carboxylic acid
CID 116871772
3-(chloromethyl)-3-(2-methoxy-4-propan-2-ylphenyl)oxetane
CID 116871414
3-(2,4-dimethoxyphenyl)oxolan-3-ol
CID 63331455
4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine
CID 82297013
3-(2,5-dimethoxy-3,4-dimethylphenyl)oxetan-3-ol
CID 116873054
4,5-diamino-2-(2-methoxy-4-propan-2-ylphenyl)inden-2-ol
CID 141356064
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211
1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)cyclopropan-1-ol
CID 117354231
N-[[1-(2-methoxy-4-propan-2-ylphenyl)cyclopropyl]methyl]cyclopropanamine
CID 112519191
2-iodo-1-methoxy-4-propan-2-ylbenzene
CID 90221993
amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
1-(2-methoxy-4-methylphenyl)cyclopropan-1-ol
CID 117277830

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol?
The IUPAC name of 3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol (CID 116872986) is 3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol.
What is the SMILES notation for 3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol?
The canonical SMILES for 3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol is COc1cc(C(C)C)ccc1C1(O)COC1.
What is the InChIKey of 3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol?
The InChIKey is ACPVLDXDEDPLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9(2)10-4-5-11(12(6-10)15-3)13(14)7-16-8-13/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of 3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol?
3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol has a molecular weight of 222.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol is sourced from PubChem (CID 116872986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).