1-cyclobutyl-2-(2-propan-2-yloxyphenyl)propan-2-ol

C16H24O2 — CID 113490178

IUPAC1-cyclobutyl-2-(2-propan-2-yloxyphenyl)propan-2-ol
SMILESCC(C)Oc1ccccc1C(C)(O)CC1CCC1
InChIInChI=1S/C16H24O2/c1-12(2)18-15-10-5-4-9-14(15)16(3,17)11-13-7-6-8-13/h4-5,9-10,12-13,17H,6-8,11H2,1-3H3
InChIKeyRHRCAJVPIUPGPK-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.87
Rot. Bonds5

About 1-cyclobutyl-2-(2-propan-2-yloxyphenyl)propan-2-ol

1-cyclobutyl-2-(2-propan-2-yloxyphenyl)propan-2-ol (PubChem CID 113490178) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-cyclobutyl-2-(2-propan-2-yloxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-cyclobutyl-2-(2-propan-2-yloxyphenyl)propan-2-ol
PubChem CID113490178
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-cyclobutyl-2-(2-propan-2-yloxyphenyl)propan-2-ol
SMILESCC(C)Oc1ccccc1C(C)(O)CC1CCC1
InChIInChI=1S/C16H24O2/c1-12(2)18-15-10-5-4-9-14(15)16(3,17)11-13-7-6-8-13/h4-5,9-10,12-13,17H,6-8,11H2,1-3H3
InChIKeyRHRCAJVPIUPGPK-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(2-propan-2-yloxyphenyl)propan-2-ol?
The IUPAC name of 1-cyclobutyl-2-(2-propan-2-yloxyphenyl)propan-2-ol (CID 113490178) is 1-cyclobutyl-2-(2-propan-2-yloxyphenyl)propan-2-ol.
What is the SMILES notation for 1-cyclobutyl-2-(2-propan-2-yloxyphenyl)propan-2-ol?
The canonical SMILES for 1-cyclobutyl-2-(2-propan-2-yloxyphenyl)propan-2-ol is CC(C)Oc1ccccc1C(C)(O)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(2-propan-2-yloxyphenyl)propan-2-ol?
The InChIKey is RHRCAJVPIUPGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-12(2)18-15-10-5-4-9-14(15)16(3,17)11-13-7-6-8-13/h4-5,9-10,12-13,17H,6-8,11H2,1-3H3.
What are the key properties of 1-cyclobutyl-2-(2-propan-2-yloxyphenyl)propan-2-ol?
1-cyclobutyl-2-(2-propan-2-yloxyphenyl)propan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(2-propan-2-yloxyphenyl)propan-2-ol is sourced from PubChem (CID 113490178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).