cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol

C15H22O2 — CID 82049139

IUPACcyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol
SMILESCCOc1cc(C)c(C(O)C2CCC2)cc1C
InChIInChI=1S/C15H22O2/c1-4-17-14-9-10(2)13(8-11(14)3)15(16)12-6-5-7-12/h8-9,12,15-16H,4-7H2,1-3H3
InChIKeyMMMCJJPISHQHQQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.54
Rot. Bonds4

About cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol

cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol (PubChem CID 82049139) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol.

Molecular Properties

Compound Namecyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol
PubChem CID82049139
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Namecyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol
SMILESCCOc1cc(C)c(C(O)C2CCC2)cc1C
InChIInChI=1S/C15H22O2/c1-4-17-14-9-10(2)13(8-11(14)3)15(16)12-6-5-7-12/h8-9,12,15-16H,4-7H2,1-3H3
InChIKeyMMMCJJPISHQHQQ-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol
CID 82284052
1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 112510507
(2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol
CID 61083158
4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide
CID 112510492
1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(cyclopropylamino)ethanol
CID 112512972
3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 112515939
ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate
CID 117472199
cyclobutyl-(4-fluoro-2-methylphenyl)methanol
CID 64987002
1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol
CID 112512601
2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol
CID 103165429
2-cyclopropyl-2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 116712960
piperidin-4-yl-(2,4,5-trimethylphenyl)methanol
CID 80503850

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol?
The IUPAC name of cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol (CID 82049139) is cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol.
What is the SMILES notation for cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol?
The canonical SMILES for cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol is CCOc1cc(C)c(C(O)C2CCC2)cc1C.
What is the InChIKey of cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol?
The InChIKey is MMMCJJPISHQHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-17-14-9-10(2)13(8-11(14)3)15(16)12-6-5-7-12/h8-9,12,15-16H,4-7H2,1-3H3.
What are the key properties of cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol?
cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol has a molecular weight of 234.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol is sourced from PubChem (CID 82049139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).