2-propan-2-yloxyphenol

C9H12O2 — CID 20949

IUPAC2-propan-2-yloxyphenol
SMILESCC(C)Oc1ccccc1O
InChIInChI=1S/C9H12O2/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7,10H,1-2H3
InChIKeyZNCUUYCDKVNVJH-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.18
Rot. Bonds2

About 2-propan-2-yloxyphenol

2-propan-2-yloxyphenol (PubChem CID 20949) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-propan-2-yloxyphenol.

Molecular Properties

Compound Name2-propan-2-yloxyphenol
PubChem CID20949
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-propan-2-yloxyphenol
SMILESCC(C)Oc1ccccc1O
InChIInChI=1S/C9H12O2/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7,10H,1-2H3
InChIKeyZNCUUYCDKVNVJH-UHFFFAOYSA-N
XLogP2.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyphenol?
The IUPAC name of 2-propan-2-yloxyphenol (CID 20949) is 2-propan-2-yloxyphenol.
What is the SMILES notation for 2-propan-2-yloxyphenol?
The canonical SMILES for 2-propan-2-yloxyphenol is CC(C)Oc1ccccc1O.
What is the InChIKey of 2-propan-2-yloxyphenol?
The InChIKey is ZNCUUYCDKVNVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7,10H,1-2H3.
What are the key properties of 2-propan-2-yloxyphenol?
2-propan-2-yloxyphenol has a molecular weight of 152.19 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyphenol is sourced from PubChem (CID 20949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).