3-(3-tert-butylphenyl)-2-methylpropan-1-ol

C14H22O — CID 53466403

IUPAC3-(3-tert-butylphenyl)-2-methylpropan-1-ol
SMILESCC(CO)Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C14H22O/c1-11(10-15)8-12-6-5-7-13(9-12)14(2,3)4/h5-7,9,11,15H,8,10H2,1-4H3
InChIKeyONQYURNNEQFDFW-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.15
Rot. Bonds3

About 3-(3-tert-butylphenyl)-2-methylpropan-1-ol

3-(3-tert-butylphenyl)-2-methylpropan-1-ol (PubChem CID 53466403) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-(3-tert-butylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(3-tert-butylphenyl)-2-methylpropan-1-ol
PubChem CID53466403
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name3-(3-tert-butylphenyl)-2-methylpropan-1-ol
SMILESCC(CO)Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C14H22O/c1-11(10-15)8-12-6-5-7-13(9-12)14(2,3)4/h5-7,9,11,15H,8,10H2,1-4H3
InChIKeyONQYURNNEQFDFW-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326643
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117286468
3-(3-hydrazinylphenyl)-2-methylpropan-1-ol
CID 144975449
1-bromo-4-tert-butyl-2-(2-methylpropyl)benzene;1-tert-butyl-3-(2-methylpropyl)benzene
CID 163429812
1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol
CID 116542792
4-amino-1-(3-tert-butylphenyl)butan-2-ol
CID 66582205
1-(3-tert-butylphenyl)hexan-2-ol
CID 71163599
(2S)-2-amino-3-(3-tert-butylphenyl)propanoic acid;hydrochloride
CID 20706030
1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine
CID 69374582
1,2-ditert-butyl-4-[1-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326761
2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol
CID 105425775
2-[3-(2-methylpropyl)phenyl]butan-2-ol
CID 116542302

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-(3-tert-butylphenyl)-2-methylpropan-1-ol (CID 53466403) is 3-(3-tert-butylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(3-tert-butylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(3-tert-butylphenyl)-2-methylpropan-1-ol is CC(CO)Cc1cccc(C(C)(C)C)c1.
What is the InChIKey of 3-(3-tert-butylphenyl)-2-methylpropan-1-ol?
The InChIKey is ONQYURNNEQFDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-11(10-15)8-12-6-5-7-13(9-12)14(2,3)4/h5-7,9,11,15H,8,10H2,1-4H3.
What are the key properties of 3-(3-tert-butylphenyl)-2-methylpropan-1-ol?
3-(3-tert-butylphenyl)-2-methylpropan-1-ol has a molecular weight of 206.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 53466403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).