1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol

C14H22O — CID 82126479

IUPAC1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol
SMILESCCC(C)c1ccc(CC(C)(C)O)cc1
InChIInChI=1S/C14H22O/c1-5-11(2)13-8-6-12(7-9-13)10-14(3,4)15/h6-9,11,15H,5,10H2,1-4H3
InChIKeyDRYIKZMRTBJAOH-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.51
Rot. Bonds4

About 1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol

1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol (PubChem CID 82126479) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol
PubChem CID82126479
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol
SMILESCCC(C)c1ccc(CC(C)(C)O)cc1
InChIInChI=1S/C14H22O/c1-5-11(2)13-8-6-12(7-9-13)10-14(3,4)15/h6-9,11,15H,5,10H2,1-4H3
InChIKeyDRYIKZMRTBJAOH-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine
CID 82126382
1-[4-[1-(4-bromophenyl)ethyl]phenyl]-2-methylpropan-2-ol
CID 90913483
methyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate
CID 25020809
1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol
CID 126511396
1-[4-(1-amino-2-hydroxyethyl)phenyl]-2-methylpropan-2-ol
CID 117115386
N-[(4-butan-2-ylphenyl)methyl]-2-hydroxy-2-methylpropanamide
CID 115178737
4-[(4-butan-2-ylphenyl)methyl]phenol
CID 170030483
3-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-methylpropanoic acid
CID 115112809
1-(4-butan-2-ylphenyl)-1-(dimethylamino)-2-methylpropan-2-ol
CID 116911318
1-butan-2-yl-4-[3-(2-fluorophenyl)-2,2-dimethylpropyl]benzene
CID 129212648
CID 123774225
CID 123774225
2-methyl-1-[4-(propan-2-ylamino)phenyl]propan-2-ol
CID 91068472

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol (CID 82126479) is 1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol is CCC(C)c1ccc(CC(C)(C)O)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol?
The InChIKey is DRYIKZMRTBJAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-11(2)13-8-6-12(7-9-13)10-14(3,4)15/h6-9,11,15H,5,10H2,1-4H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol?
1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol has a molecular weight of 206.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 82126479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).