3-methyl-1-(2-propan-2-yloxyphenyl)cyclobutan-1-ol

C14H20O2 — CID 103564580

IUPAC3-methyl-1-(2-propan-2-yloxyphenyl)cyclobutan-1-ol
SMILESCC1CC(O)(c2ccccc2OC(C)C)C1
InChIInChI=1S/C14H20O2/c1-10(2)16-13-7-5-4-6-12(13)14(15)8-11(3)9-14/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyKJXVQGHYTCTORY-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.09
Rot. Bonds3

About 3-methyl-1-(2-propan-2-yloxyphenyl)cyclobutan-1-ol

3-methyl-1-(2-propan-2-yloxyphenyl)cyclobutan-1-ol (PubChem CID 103564580) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-methyl-1-(2-propan-2-yloxyphenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(2-propan-2-yloxyphenyl)cyclobutan-1-ol
PubChem CID103564580
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-methyl-1-(2-propan-2-yloxyphenyl)cyclobutan-1-ol
SMILESCC1CC(O)(c2ccccc2OC(C)C)C1
InChIInChI=1S/C14H20O2/c1-10(2)16-13-7-5-4-6-12(13)14(15)8-11(3)9-14/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyKJXVQGHYTCTORY-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,5,5-tetramethyl-1-(2-propan-2-yloxyphenyl)cyclohexan-1-ol
CID 115999419
8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954961
1-[2-(difluoromethoxy)phenyl]cyclopropan-1-ol
CID 117289125
1-(2-methoxyphenyl)-4-methylcyclohexan-1-ol
CID 60794785
3-hydroxy-3-(2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 80502483
1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 65090264
1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol
CID 104658449
3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933298
3-(2-methoxyphenyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171958442
1-(2,5-difluorophenyl)-3-methylcyclobutan-1-ol
CID 103564462
1-cyclopropyl-2-propan-2-yloxybenzene
CID 121339492
3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol
CID 107449859

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-propan-2-yloxyphenyl)cyclobutan-1-ol?
The IUPAC name of 3-methyl-1-(2-propan-2-yloxyphenyl)cyclobutan-1-ol (CID 103564580) is 3-methyl-1-(2-propan-2-yloxyphenyl)cyclobutan-1-ol.
What is the SMILES notation for 3-methyl-1-(2-propan-2-yloxyphenyl)cyclobutan-1-ol?
The canonical SMILES for 3-methyl-1-(2-propan-2-yloxyphenyl)cyclobutan-1-ol is CC1CC(O)(c2ccccc2OC(C)C)C1.
What is the InChIKey of 3-methyl-1-(2-propan-2-yloxyphenyl)cyclobutan-1-ol?
The InChIKey is KJXVQGHYTCTORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10(2)16-13-7-5-4-6-12(13)14(15)8-11(3)9-14/h4-7,10-11,15H,8-9H2,1-3H3.
What are the key properties of 3-methyl-1-(2-propan-2-yloxyphenyl)cyclobutan-1-ol?
3-methyl-1-(2-propan-2-yloxyphenyl)cyclobutan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propan-2-yloxyphenyl)cyclobutan-1-ol is sourced from PubChem (CID 103564580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).