2-[4-(2-methylpropyl)phenyl]butan-2-ol

C14H22O — CID 91656197

IUPAC2-[4-(2-methylpropyl)phenyl]butan-2-ol
SMILESCCC(C)(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C14H22O/c1-5-14(4,15)13-8-6-12(7-9-13)10-11(2)3/h6-9,11,15H,5,10H2,1-4H3
InChIKeyGJJSBOQUFXQVSW-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.50
Rot. Bonds4

About 2-[4-(2-methylpropyl)phenyl]butan-2-ol

2-[4-(2-methylpropyl)phenyl]butan-2-ol (PubChem CID 91656197) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]butan-2-ol.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]butan-2-ol
PubChem CID91656197
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-[4-(2-methylpropyl)phenyl]butan-2-ol
SMILESCCC(C)(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C14H22O/c1-5-14(4,15)13-8-6-12(7-9-13)10-11(2)3/h6-9,11,15H,5,10H2,1-4H3
InChIKeyGJJSBOQUFXQVSW-UHFFFAOYSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol
CID 97294137
2-[3-(2-methylpropyl)phenyl]butan-2-ol
CID 116542302
1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 62773408
1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 80604999
1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene
CID 143199593
(1S)-1-iodo-1-[4-(2-methylpropyl)phenyl]butan-1-ol
CID 67850525
[2-hydroxy-2-[4-(2-methylpropyl)phenyl]propyl] acetate
CID 10264130
N-methyl-2-[4-(2-methylpropyl)phenyl]propan-2-amine
CID 82283210
2-(ethylamino)-2-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 61050325
1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 62775363
bis(4-tert-butylphenyl)-[4-(2-methylpropyl)phenyl]sulfanium
CID 58260924
3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid
CID 79019407

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]butan-2-ol?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]butan-2-ol (CID 91656197) is 2-[4-(2-methylpropyl)phenyl]butan-2-ol.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]butan-2-ol?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]butan-2-ol is CCC(C)(O)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]butan-2-ol?
The InChIKey is GJJSBOQUFXQVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-14(4,15)13-8-6-12(7-9-13)10-11(2)3/h6-9,11,15H,5,10H2,1-4H3.
What are the key properties of 2-[4-(2-methylpropyl)phenyl]butan-2-ol?
2-[4-(2-methylpropyl)phenyl]butan-2-ol has a molecular weight of 206.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]butan-2-ol is sourced from PubChem (CID 91656197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).