3-(4-tert-butylphenyl)-2-methyloxolan-3-ol

C15H22O2 — CID 82717330

IUPAC3-(4-tert-butylphenyl)-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H22O2/c1-11-15(16,9-10-17-11)13-7-5-12(6-8-13)14(2,3)4/h5-8,11,16H,9-10H2,1-4H3
InChIKeyNRKNUKJWYQHAHF-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.98
Rot. Bonds1

About 3-(4-tert-butylphenyl)-2-methyloxolan-3-ol

3-(4-tert-butylphenyl)-2-methyloxolan-3-ol (PubChem CID 82717330) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-2-methyloxolan-3-ol
PubChem CID82717330
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-(4-tert-butylphenyl)-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H22O2/c1-11-15(16,9-10-17-11)13-7-5-12(6-8-13)14(2,3)4/h5-8,11,16H,9-10H2,1-4H3
InChIKeyNRKNUKJWYQHAHF-UHFFFAOYSA-N
XLogP2.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-2-methyloxolan-3-ol?
The IUPAC name of 3-(4-tert-butylphenyl)-2-methyloxolan-3-ol (CID 82717330) is 3-(4-tert-butylphenyl)-2-methyloxolan-3-ol.
What is the SMILES notation for 3-(4-tert-butylphenyl)-2-methyloxolan-3-ol?
The canonical SMILES for 3-(4-tert-butylphenyl)-2-methyloxolan-3-ol is CC1OCCC1(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-2-methyloxolan-3-ol?
The InChIKey is NRKNUKJWYQHAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11-15(16,9-10-17-11)13-7-5-12(6-8-13)14(2,3)4/h5-8,11,16H,9-10H2,1-4H3.
What are the key properties of 3-(4-tert-butylphenyl)-2-methyloxolan-3-ol?
3-(4-tert-butylphenyl)-2-methyloxolan-3-ol has a molecular weight of 234.34 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-2-methyloxolan-3-ol is sourced from PubChem (CID 82717330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).