2-methyl-4-phenyl-4-propan-2-yloxybutan-2-ol

C14H22O2 — CID 142601392

IUPAC2-methyl-4-phenyl-4-propan-2-yloxybutan-2-ol
SMILESCC(C)OC(CC(C)(C)O)c1ccccc1
InChIInChI=1S/C14H22O2/c1-11(2)16-13(10-14(3,4)15)12-8-6-5-7-9-12/h5-9,11,13,15H,10H2,1-4H3
InChIKeyFUEXSRUJNMYXTC-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.31
Rot. Bonds5

About 2-methyl-4-phenyl-4-propan-2-yloxybutan-2-ol

2-methyl-4-phenyl-4-propan-2-yloxybutan-2-ol (PubChem CID 142601392) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methyl-4-phenyl-4-propan-2-yloxybutan-2-ol.

Molecular Properties

Compound Name2-methyl-4-phenyl-4-propan-2-yloxybutan-2-ol
PubChem CID142601392
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-methyl-4-phenyl-4-propan-2-yloxybutan-2-ol
SMILESCC(C)OC(CC(C)(C)O)c1ccccc1
InChIInChI=1S/C14H22O2/c1-11(2)16-13(10-14(3,4)15)12-8-6-5-7-9-12/h5-9,11,13,15H,10H2,1-4H3
InChIKeyFUEXSRUJNMYXTC-UHFFFAOYSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
[2-[(2-phenyl-2-propan-2-yloxyethyl)disulfanyl]-1-propan-2-yloxyethyl]benzene
CID 14612801
4-chloro-2-methyl-4-phenylbutan-2-ol
CID 174946431
4-(3,3-dimethyl-1-phenylbutoxy)-3-methylpentan-1-ol
CID 154659185
[1-(3,3-dimethyl-1-phenylbutyl)peroxy-3,3-dimethylbutyl]benzene
CID 149433737
ethyl 2-hydroxy-4-phenyl-4-propan-2-yloxybutanoate
CID 132550748
N-(2-phenyl-2-propan-2-yloxyethyl)propan-1-amine
CID 62108020
(2S)-4-methoxy-4-phenyl-2-trimethylsilylbutan-2-ol
CID 102301293
2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol
CID 10889092
2-methyl-5-phenylhexan-2-ol
CID 12716609
[(2R,4S)-4-acetyloxy-2-hydroxy-2-methyl-4-phenylbutyl] acetate
CID 134934696
2-methylpropan-2-ol;1-phenylethanol
CID 160949043

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-4-propan-2-yloxybutan-2-ol?
The IUPAC name of 2-methyl-4-phenyl-4-propan-2-yloxybutan-2-ol (CID 142601392) is 2-methyl-4-phenyl-4-propan-2-yloxybutan-2-ol.
What is the SMILES notation for 2-methyl-4-phenyl-4-propan-2-yloxybutan-2-ol?
The canonical SMILES for 2-methyl-4-phenyl-4-propan-2-yloxybutan-2-ol is CC(C)OC(CC(C)(C)O)c1ccccc1.
What is the InChIKey of 2-methyl-4-phenyl-4-propan-2-yloxybutan-2-ol?
The InChIKey is FUEXSRUJNMYXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(2)16-13(10-14(3,4)15)12-8-6-5-7-9-12/h5-9,11,13,15H,10H2,1-4H3.
What are the key properties of 2-methyl-4-phenyl-4-propan-2-yloxybutan-2-ol?
2-methyl-4-phenyl-4-propan-2-yloxybutan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-4-propan-2-yloxybutan-2-ol is sourced from PubChem (CID 142601392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).