3-methoxy-1-[3-(2-methylpropyl)phenyl]cyclobutan-1-ol

C15H22O2 — CID 106823598

IUPAC3-methoxy-1-[3-(2-methylpropyl)phenyl]cyclobutan-1-ol
SMILESCOC1CC(O)(c2cccc(CC(C)C)c2)C1
InChIInChI=1S/C15H22O2/c1-11(2)7-12-5-4-6-13(8-12)15(16)9-14(10-15)17-3/h4-6,8,11,14,16H,7,9-10H2,1-3H3
InChIKeyLMDWZTALIMGEBO-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.88
Rot. Bonds4

About 3-methoxy-1-[3-(2-methylpropyl)phenyl]cyclobutan-1-ol

3-methoxy-1-[3-(2-methylpropyl)phenyl]cyclobutan-1-ol (PubChem CID 106823598) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-methoxy-1-[3-(2-methylpropyl)phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-[3-(2-methylpropyl)phenyl]cyclobutan-1-ol
PubChem CID106823598
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-methoxy-1-[3-(2-methylpropyl)phenyl]cyclobutan-1-ol
SMILESCOC1CC(O)(c2cccc(CC(C)C)c2)C1
InChIInChI=1S/C15H22O2/c1-11(2)7-12-5-4-6-13(8-12)15(16)9-14(10-15)17-3/h4-6,8,11,14,16H,7,9-10H2,1-3H3
InChIKeyLMDWZTALIMGEBO-UHFFFAOYSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol
CID 116542858
2-methyl-1-[3-(2-methylpropyl)phenyl]cyclopentan-1-ol
CID 116542606
3-[3-(2-methylpropyl)phenyl]piperidin-3-ol
CID 116542352
4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol
CID 116542318
3-methoxy-1-naphthalen-2-ylcyclobutan-1-ol
CID 106823614
tert-butyl 3-hydroxy-3-[3-(2-methylpropyl)phenyl]azetidine-1-carboxylate
CID 104890831
4-[3-(2-methylpropyl)phenyl]-1-propan-2-ylazepan-4-ol
CID 116542614
2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol
CID 116542681
3,5-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine
CID 116543014
1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol
CID 106823902
1-phenyl-3-phenylmethoxycyclobutan-1-ol
CID 135138338
4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine
CID 116543004

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[3-(2-methylpropyl)phenyl]cyclobutan-1-ol?
The IUPAC name of 3-methoxy-1-[3-(2-methylpropyl)phenyl]cyclobutan-1-ol (CID 106823598) is 3-methoxy-1-[3-(2-methylpropyl)phenyl]cyclobutan-1-ol.
What is the SMILES notation for 3-methoxy-1-[3-(2-methylpropyl)phenyl]cyclobutan-1-ol?
The canonical SMILES for 3-methoxy-1-[3-(2-methylpropyl)phenyl]cyclobutan-1-ol is COC1CC(O)(c2cccc(CC(C)C)c2)C1.
What is the InChIKey of 3-methoxy-1-[3-(2-methylpropyl)phenyl]cyclobutan-1-ol?
The InChIKey is LMDWZTALIMGEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11(2)7-12-5-4-6-13(8-12)15(16)9-14(10-15)17-3/h4-6,8,11,14,16H,7,9-10H2,1-3H3.
What are the key properties of 3-methoxy-1-[3-(2-methylpropyl)phenyl]cyclobutan-1-ol?
3-methoxy-1-[3-(2-methylpropyl)phenyl]cyclobutan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[3-(2-methylpropyl)phenyl]cyclobutan-1-ol is sourced from PubChem (CID 106823598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).