2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol

C15H22O2 — CID 66367501

IUPAC2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1Oc1ccccc1C
InChIInChI=1S/C15H22O2/c1-4-15(5-2)13(16)10-14(15)17-12-9-7-6-8-11(12)3/h6-9,13-14,16H,4-5,10H2,1-3H3
InChIKeyYDBRTEODMMMORS-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.31
Rot. Bonds4

About 2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol

2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol (PubChem CID 66367501) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol
PubChem CID66367501
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1Oc1ccccc1C
InChIInChI=1S/C15H22O2/c1-4-15(5-2)13(16)10-14(15)17-12-9-7-6-8-11(12)3/h6-9,13-14,16H,4-5,10H2,1-3H3
InChIKeyYDBRTEODMMMORS-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol?
The IUPAC name of 2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol (CID 66367501) is 2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol.
What is the SMILES notation for 2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol?
The canonical SMILES for 2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol is CCC1(CC)C(O)CC1Oc1ccccc1C.
What is the InChIKey of 2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol?
The InChIKey is YDBRTEODMMMORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-15(5-2)13(16)10-14(15)17-12-9-7-6-8-11(12)3/h6-9,13-14,16H,4-5,10H2,1-3H3.
What are the key properties of 2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol?
2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol is sourced from PubChem (CID 66367501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).