2-(4-tert-butylphenyl)-1-methoxypropan-2-ol

C14H22O2 — CID 62550666

IUPAC2-(4-tert-butylphenyl)-1-methoxypropan-2-ol
SMILESCOCC(C)(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22O2/c1-13(2,3)11-6-8-12(9-7-11)14(4,15)10-16-5/h6-9,15H,10H2,1-5H3
InChIKeySROWWHUMOQGGAN-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.84
Rot. Bonds3

About 2-(4-tert-butylphenyl)-1-methoxypropan-2-ol

2-(4-tert-butylphenyl)-1-methoxypropan-2-ol (PubChem CID 62550666) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-methoxypropan-2-ol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-methoxypropan-2-ol
PubChem CID62550666
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-(4-tert-butylphenyl)-1-methoxypropan-2-ol
SMILESCOCC(C)(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22O2/c1-13(2,3)11-6-8-12(9-7-11)14(4,15)10-16-5/h6-9,15H,10H2,1-5H3
InChIKeySROWWHUMOQGGAN-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol
CID 156647383
2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methoxypropan-2-ol
CID 107287106
2-(3-bromophenyl)-1-methoxypropan-2-ol
CID 79566424
1-tert-butyl-4-[1-[2-(4-tert-butylphenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene
CID 56617676
1-[4-[2-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
CID 155649044
1-tert-butyl-4-(2-methoxyethyl)benzene
CID 67201808
2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol
CID 107358992
[2-hydroxy-2-(4-methoxyphenyl)propyl] nitrate
CID 10751764
1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol
CID 13140414
2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol
CID 62773195
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
1-(4-tert-butylphenyl)propane-2,2-diol
CID 175500089

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-methoxypropan-2-ol?
The IUPAC name of 2-(4-tert-butylphenyl)-1-methoxypropan-2-ol (CID 62550666) is 2-(4-tert-butylphenyl)-1-methoxypropan-2-ol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-methoxypropan-2-ol?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-methoxypropan-2-ol is COCC(C)(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-methoxypropan-2-ol?
The InChIKey is SROWWHUMOQGGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-13(2,3)11-6-8-12(9-7-11)14(4,15)10-16-5/h6-9,15H,10H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-methoxypropan-2-ol?
2-(4-tert-butylphenyl)-1-methoxypropan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-methoxypropan-2-ol is sourced from PubChem (CID 62550666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).