2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol

C14H22O2 — CID 22486849

IUPAC2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
SMILESCC(C)C(O)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C14H22O2/c1-10(2)13(15)11-6-8-12(9-7-11)16-14(3,4)5/h6-10,13,15H,1-5H3
InChIKeyNWXLJXGGDLYXLS-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.55
Rot. Bonds3

About 2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol

2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol (PubChem CID 22486849) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
PubChem CID22486849
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
SMILESCC(C)C(O)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C14H22O2/c1-10(2)13(15)11-6-8-12(9-7-11)16-14(3,4)5/h6-10,13,15H,1-5H3
InChIKeyNWXLJXGGDLYXLS-UHFFFAOYSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methylamino)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propane-1,2-diol
CID 171858536
1-[4-[4-(1-hydroxy-2-methylpropyl)phenoxy]phenyl]-2-methylpropan-1-ol
CID 70467453
2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile
CID 12895748
1-[4-[4-(1-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-1-ol
CID 154573668
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
CID 77130956
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone
CID 145003434
[(1S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl] hydrogen sulfate
CID 141158801
4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-amine
CID 112512545
(1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol
CID 171271183
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl hydrogen sulfate
CID 174540871
4-[(2-methylpropan-2-yl)oxy]phenol
CID 2773621
4-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-yn-2-ol
CID 146002748

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol?
The IUPAC name of 2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol (CID 22486849) is 2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol is CC(C)C(O)c1ccc(OC(C)(C)C)cc1.
What is the InChIKey of 2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol?
The InChIKey is NWXLJXGGDLYXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10(2)13(15)11-6-8-12(9-7-11)16-14(3,4)5/h6-10,13,15H,1-5H3.
What are the key properties of 2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol?
2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol is sourced from PubChem (CID 22486849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).