3-(2-tert-butylphenoxy)-2-methoxycyclobutan-1-ol

C15H22O3 — CID 113439648

IUPAC3-(2-tert-butylphenoxy)-2-methoxycyclobutan-1-ol
SMILESCOC1C(O)CC1Oc1ccccc1C(C)(C)C
InChIInChI=1S/C15H22O3/c1-15(2,3)10-7-5-6-8-12(10)18-13-9-11(16)14(13)17-4/h5-8,11,13-14,16H,9H2,1-4H3
InChIKeyIZVXVZASVIXWQQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.51
Rot. Bonds3

About 3-(2-tert-butylphenoxy)-2-methoxycyclobutan-1-ol

3-(2-tert-butylphenoxy)-2-methoxycyclobutan-1-ol (PubChem CID 113439648) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(2-tert-butylphenoxy)-2-methoxycyclobutan-1-ol.

Molecular Properties

Compound Name3-(2-tert-butylphenoxy)-2-methoxycyclobutan-1-ol
PubChem CID113439648
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-(2-tert-butylphenoxy)-2-methoxycyclobutan-1-ol
SMILESCOC1C(O)CC1Oc1ccccc1C(C)(C)C
InChIInChI=1S/C15H22O3/c1-15(2,3)10-7-5-6-8-12(10)18-13-9-11(16)14(13)17-4/h5-8,11,13-14,16H,9H2,1-4H3
InChIKeyIZVXVZASVIXWQQ-UHFFFAOYSA-N
XLogP2.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-2-(3-chloro-2-methoxycyclobutyl)oxybenzene
CID 113439682
3-(2,6-dimethoxyphenoxy)-2-methoxycyclobutan-1-ol
CID 104673541
3-(2-tert-butylphenoxy)-2-ethoxycyclobutan-1-amine
CID 104675934
2-propoxy-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol
CID 107942467
2-(3-bromo-2-methoxycyclobutyl)oxy-1-tert-butyl-4-methylbenzene
CID 104673972
3-(2,5-dibromo-4-methoxyphenoxy)-2-methoxycyclobutan-1-ol
CID 113439674
methyl (2S,4S)-4-(2-tert-butylphenoxy)pyrrolidine-2-carboxylate;hydrochloride
CID 56831459
1-(3-bromo-2-methoxycyclobutyl)oxy-2-tert-butyl-4-methoxybenzene
CID 104673856
3-(4-bromo-2-fluorophenoxy)-2-methoxycyclobutan-1-ol
CID 104673626
2-methoxy-3-pyridin-3-yloxycyclobutan-1-ol
CID 104673708
2-ethoxy-3-(2-methylphenoxy)cyclobutan-1-ol
CID 104675291
1-(3-chloro-2-methoxycyclobutyl)oxy-2-methoxybenzene
CID 104673828

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylphenoxy)-2-methoxycyclobutan-1-ol?
The IUPAC name of 3-(2-tert-butylphenoxy)-2-methoxycyclobutan-1-ol (CID 113439648) is 3-(2-tert-butylphenoxy)-2-methoxycyclobutan-1-ol.
What is the SMILES notation for 3-(2-tert-butylphenoxy)-2-methoxycyclobutan-1-ol?
The canonical SMILES for 3-(2-tert-butylphenoxy)-2-methoxycyclobutan-1-ol is COC1C(O)CC1Oc1ccccc1C(C)(C)C.
What is the InChIKey of 3-(2-tert-butylphenoxy)-2-methoxycyclobutan-1-ol?
The InChIKey is IZVXVZASVIXWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-15(2,3)10-7-5-6-8-12(10)18-13-9-11(16)14(13)17-4/h5-8,11,13-14,16H,9H2,1-4H3.
What are the key properties of 3-(2-tert-butylphenoxy)-2-methoxycyclobutan-1-ol?
3-(2-tert-butylphenoxy)-2-methoxycyclobutan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylphenoxy)-2-methoxycyclobutan-1-ol is sourced from PubChem (CID 113439648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).