2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-ol

C17H26O3 — CID 104675287

IUPAC2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-ol
SMILESCCOC1C(O)CC1Oc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C17H26O3/c1-5-17(3,4)12-7-9-13(10-8-12)20-15-11-14(18)16(15)19-6-2/h7-10,14-16,18H,5-6,11H2,1-4H3
InChIKeyYWBRXTXVCROMCS-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.29
Rot. Bonds6

About 2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-ol

2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-ol (PubChem CID 104675287) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-ol.

Molecular Properties

Compound Name2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-ol
PubChem CID104675287
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-ol
SMILESCCOC1C(O)CC1Oc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C17H26O3/c1-5-17(3,4)12-7-9-13(10-8-12)20-15-11-14(18)16(15)19-6-2/h7-10,14-16,18H,5-6,11H2,1-4H3
InChIKeyYWBRXTXVCROMCS-UHFFFAOYSA-N
XLogP3.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(2-methylbutan-2-yl)benzene
CID 104675516
2-ethoxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclobutan-1-ol
CID 104675407
3-(4-chloro-3-methylphenoxy)-2-ethoxycyclobutan-1-ol
CID 113439889
2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine
CID 43100661
3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol
CID 114018846
1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(trifluoromethyl)benzene
CID 113439942
[2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine
CID 43293934
2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-ol
CID 104675275
1-(3-bromo-2-ethoxycyclobutyl)oxy-4-iodobenzene
CID 104675687
1-(3-chloro-2-ethoxycyclobutyl)oxy-4-iodobenzene
CID 104675688
2-ethyl-2-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-amine
CID 66357108
3-(2,6-dimethoxyphenoxy)-2-ethoxycyclobutan-1-ol
CID 104675270

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-ol?
The IUPAC name of 2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-ol (CID 104675287) is 2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-ol.
What is the SMILES notation for 2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-ol?
The canonical SMILES for 2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-ol is CCOC1C(O)CC1Oc1ccc(C(C)(C)CC)cc1.
What is the InChIKey of 2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-ol?
The InChIKey is YWBRXTXVCROMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-5-17(3,4)12-7-9-13(10-8-12)20-15-11-14(18)16(15)19-6-2/h7-10,14-16,18H,5-6,11H2,1-4H3.
What are the key properties of 2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-ol?
2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-ol has a molecular weight of 278.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-ol is sourced from PubChem (CID 104675287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).