2-[(2S,5S)-5-methyl-5-(4-methylphenyl)oxolan-2-yl]propan-2-ol

C15H22O2 — CID 44583949

IUPAC2-[(2S,5S)-5-methyl-5-(4-methylphenyl)oxolan-2-yl]propan-2-ol
SMILESCc1ccc([C@]2(C)CC[C@@H](C(C)(C)O)O2)cc1
InChIInChI=1S/C15H22O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(17-15)14(2,3)16/h5-8,13,16H,9-10H2,1-4H3/t13-,15-/m0/s1
InChIKeyIFVHOZWUEJVVRF-ZFWWWQNUSA-N
MW234.34 g/mol
LogP3.16
Rot. Bonds2

About 2-[(2S,5S)-5-methyl-5-(4-methylphenyl)oxolan-2-yl]propan-2-ol

2-[(2S,5S)-5-methyl-5-(4-methylphenyl)oxolan-2-yl]propan-2-ol (PubChem CID 44583949) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[(2S,5S)-5-methyl-5-(4-methylphenyl)oxolan-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S,5S)-5-methyl-5-(4-methylphenyl)oxolan-2-yl]propan-2-ol
PubChem CID44583949
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-[(2S,5S)-5-methyl-5-(4-methylphenyl)oxolan-2-yl]propan-2-ol
SMILESCc1ccc([C@]2(C)CC[C@@H](C(C)(C)O)O2)cc1
InChIInChI=1S/C15H22O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(17-15)14(2,3)16/h5-8,13,16H,9-10H2,1-4H3/t13-,15-/m0/s1
InChIKeyIFVHOZWUEJVVRF-ZFWWWQNUSA-N
XLogP3.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5S)-5-methyl-5-(4-methylphenyl)oxolan-2-yl]propan-2-ol?
The IUPAC name of 2-[(2S,5S)-5-methyl-5-(4-methylphenyl)oxolan-2-yl]propan-2-ol (CID 44583949) is 2-[(2S,5S)-5-methyl-5-(4-methylphenyl)oxolan-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S,5S)-5-methyl-5-(4-methylphenyl)oxolan-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2S,5S)-5-methyl-5-(4-methylphenyl)oxolan-2-yl]propan-2-ol is Cc1ccc([C@]2(C)CC[C@@H](C(C)(C)O)O2)cc1.
What is the InChIKey of 2-[(2S,5S)-5-methyl-5-(4-methylphenyl)oxolan-2-yl]propan-2-ol?
The InChIKey is IFVHOZWUEJVVRF-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H22O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(17-15)14(2,3)16/h5-8,13,16H,9-10H2,1-4H3/t13-,15-/m0/s1.
What are the key properties of 2-[(2S,5S)-5-methyl-5-(4-methylphenyl)oxolan-2-yl]propan-2-ol?
2-[(2S,5S)-5-methyl-5-(4-methylphenyl)oxolan-2-yl]propan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5S)-5-methyl-5-(4-methylphenyl)oxolan-2-yl]propan-2-ol is sourced from PubChem (CID 44583949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).