[1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclopropyl]methanol

C17H24O2 — CID 116874719

IUPAC[1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclopropyl]methanol
SMILESCC(C)Cc1ccc(C2(C3(CO)CC3)COC2)cc1
InChIInChI=1S/C17H24O2/c1-13(2)9-14-3-5-15(6-4-14)17(11-19-12-17)16(10-18)7-8-16/h3-6,13,18H,7-12H2,1-2H3
InChIKeyXFZYXADMMJBVJQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.93
Rot. Bonds5

About [1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclopropyl]methanol

[1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclopropyl]methanol (PubChem CID 116874719) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is [1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclopropyl]methanol
PubChem CID116874719
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name[1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclopropyl]methanol
SMILESCC(C)Cc1ccc(C2(C3(CO)CC3)COC2)cc1
InChIInChI=1S/C17H24O2/c1-13(2)9-14-3-5-15(6-4-14)17(11-19-12-17)16(10-18)7-8-16/h3-6,13,18H,7-12H2,1-2H3
InChIKeyXFZYXADMMJBVJQ-UHFFFAOYSA-N
XLogP2.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclobutane-1-carbonitrile
CID 116874884
[3-[3-(4-propylphenyl)oxetan-3-yl]oxetan-3-yl]methanol
CID 116875139
[3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol
CID 115248876
2-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid
CID 116872045
3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]butan-1-amine
CID 116870189
3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid
CID 116871921
2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol
CID 116874468
[2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol
CID 116842625
[2-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol
CID 81357565
1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide
CID 116844123
4-methyl-4-[4-(2-methylpropyl)phenyl]piperidine
CID 63156729
3-[3-(4-propylphenyl)oxetan-3-yl]butanoic acid
CID 116872106

Frequently Asked Questions

What is the IUPAC name of [1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclopropyl]methanol?
The IUPAC name of [1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclopropyl]methanol (CID 116874719) is [1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclopropyl]methanol.
What is the SMILES notation for [1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclopropyl]methanol?
The canonical SMILES for [1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclopropyl]methanol is CC(C)Cc1ccc(C2(C3(CO)CC3)COC2)cc1.
What is the InChIKey of [1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclopropyl]methanol?
The InChIKey is XFZYXADMMJBVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-13(2)9-14-3-5-15(6-4-14)17(11-19-12-17)16(10-18)7-8-16/h3-6,13,18H,7-12H2,1-2H3.
What are the key properties of [1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclopropyl]methanol?
[1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclopropyl]methanol has a molecular weight of 260.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclopropyl]methanol is sourced from PubChem (CID 116874719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).