2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol

C14H22O2 — CID 70906490

IUPAC2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol
SMILESCc1cc(C(C)C)ccc1OCC(C)(C)O
InChIInChI=1S/C14H22O2/c1-10(2)12-6-7-13(11(3)8-12)16-9-14(4,5)15/h6-8,10,15H,9H2,1-5H3
InChIKeyORMFIGGNWYBHLR-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.27
Rot. Bonds4

About 2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol

2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol (PubChem CID 70906490) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol
PubChem CID70906490
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol
SMILESCc1cc(C(C)C)ccc1OCC(C)(C)O
InChIInChI=1S/C14H22O2/c1-10(2)12-6-7-13(11(3)8-12)16-9-14(4,5)15/h6-8,10,15H,9H2,1-5H3
InChIKeyORMFIGGNWYBHLR-UHFFFAOYSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of 2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol (CID 70906490) is 2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for 2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol is Cc1cc(C(C)C)ccc1OCC(C)(C)O.
What is the InChIKey of 2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is ORMFIGGNWYBHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10(2)12-6-7-13(11(3)8-12)16-9-14(4,5)15/h6-8,10,15H,9H2,1-5H3.
What are the key properties of 2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol?
2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 70906490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).