(3-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol

C18H26O2 — CID 115839005

IUPAC(3-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC1OC(C)C(C(O)c2cccc(C3CCC3)c2)C1C
InChIInChI=1S/C18H26O2/c1-11-12(2)20-13(3)17(11)18(19)16-9-5-8-15(10-16)14-6-4-7-14/h5,8-14,17-19H,4,6-7H2,1-3H3
InChIKeyPCLTZKQTQJSNMN-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.05
Rot. Bonds3

About (3-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol

(3-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol (PubChem CID 115839005) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
PubChem CID115839005
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(3-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC1OC(C)C(C(O)c2cccc(C3CCC3)c2)C1C
InChIInChI=1S/C18H26O2/c1-11-12(2)20-13(3)17(11)18(19)16-9-5-8-15(10-16)14-6-4-7-14/h5,8-14,17-19H,4,6-7H2,1-3H3
InChIKeyPCLTZKQTQJSNMN-UHFFFAOYSA-N
XLogP4.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 115836255
[(3-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]hydrazine
CID 105342042
(3-cyclobutylphenyl)-cyclopropylmethanol
CID 114601273
(3-cyclobutylphenyl)-(3-methylcyclohexyl)methanol
CID 114601424
(3-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol
CID 103345294
1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol
CID 103456751
1-(3-cyclobutylphenyl)-2-methylsulfanylethanol
CID 114602219
(1R)-1-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol
CID 104939857
1-(3-cyclobutylphenyl)pentan-1-ol
CID 114601319
[(4-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]hydrazine
CID 105338209
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
1-(3-cyclohexylphenyl)propan-1-ol
CID 178189134

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The IUPAC name of (3-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol (CID 115839005) is (3-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol.
What is the SMILES notation for (3-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The canonical SMILES for (3-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol is CC1OC(C)C(C(O)c2cccc(C3CCC3)c2)C1C.
What is the InChIKey of (3-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The InChIKey is PCLTZKQTQJSNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-11-12(2)20-13(3)17(11)18(19)16-9-5-8-15(10-16)14-6-4-7-14/h5,8-14,17-19H,4,6-7H2,1-3H3.
What are the key properties of (3-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
(3-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol has a molecular weight of 274.40 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol is sourced from PubChem (CID 115839005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).