2-[3-ethyl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol

C14H22O2 — CID 146269671

IUPAC2-[3-ethyl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
SMILESCCc1cc(C(C)(C)O)cc(C(C)(C)O)c1
InChIInChI=1S/C14H22O2/c1-6-10-7-11(13(2,3)15)9-12(8-10)14(4,5)16/h7-9,15-16H,6H2,1-5H3
InChIKeyHICRRYPYDFSOBQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.70
Rot. Bonds3

About 2-[3-ethyl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol

2-[3-ethyl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol (PubChem CID 146269671) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[3-ethyl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-ethyl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
PubChem CID146269671
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-[3-ethyl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
SMILESCCc1cc(C(C)(C)O)cc(C(C)(C)O)c1
InChIInChI=1S/C14H22O2/c1-6-10-7-11(13(2,3)15)9-12(8-10)14(4,5)16/h7-9,15-16H,6H2,1-5H3
InChIKeyHICRRYPYDFSOBQ-UHFFFAOYSA-N
XLogP2.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol?
The IUPAC name of 2-[3-ethyl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol (CID 146269671) is 2-[3-ethyl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-ethyl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol?
The canonical SMILES for 2-[3-ethyl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol is CCc1cc(C(C)(C)O)cc(C(C)(C)O)c1.
What is the InChIKey of 2-[3-ethyl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol?
The InChIKey is HICRRYPYDFSOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-6-10-7-11(13(2,3)15)9-12(8-10)14(4,5)16/h7-9,15-16H,6H2,1-5H3.
What are the key properties of 2-[3-ethyl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol?
2-[3-ethyl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol is sourced from PubChem (CID 146269671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).