2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol

C12H18O2 — CID 18062

IUPAC2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(C(C)(C)O)cc1
InChIInChI=1S/C12H18O2/c1-11(2,13)9-5-7-10(8-6-9)12(3,4)14/h5-8,13-14H,1-4H3
InChIKeyLEARFTRDZQQTDN-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.14
Rot. Bonds2

About 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol

2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol (PubChem CID 18062) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
PubChem CID18062
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(C(C)(C)O)cc1
InChIInChI=1S/C12H18O2/c1-11(2,13)9-5-7-10(8-6-9)12(3,4)14/h5-8,13-14H,1-4H3
InChIKeyLEARFTRDZQQTDN-UHFFFAOYSA-N
XLogP2.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol?
The IUPAC name of 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol (CID 18062) is 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol?
The canonical SMILES for 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol is CC(C)(O)c1ccc(C(C)(C)O)cc1.
What is the InChIKey of 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol?
The InChIKey is LEARFTRDZQQTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-11(2,13)9-5-7-10(8-6-9)12(3,4)14/h5-8,13-14H,1-4H3.
What are the key properties of 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol?
2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol has a molecular weight of 194.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol is sourced from PubChem (CID 18062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).