3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol

C14H22O — CID 62800591

IUPAC3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol
SMILESCC(C)c1ccc(C(C)(O)C(C)C)cc1
InChIInChI=1S/C14H22O/c1-10(2)12-6-8-13(9-7-12)14(5,15)11(3)4/h6-11,15H,1-5H3
InChIKeyQVVLKOZMSQVURB-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.67
Rot. Bonds3

About 3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol

3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol (PubChem CID 62800591) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol
PubChem CID62800591
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol
SMILESCC(C)c1ccc(C(C)(O)C(C)C)cc1
InChIInChI=1S/C14H22O/c1-10(2)12-6-8-13(9-7-12)14(5,15)11(3)4/h6-11,15H,1-5H3
InChIKeyQVVLKOZMSQVURB-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-aminophenyl)-3-methylbutan-2-ol
CID 115015456
2-(4-propan-2-ylphenyl)propan-2-ol
CID 18935
(2R)-3-methyl-2-(4-methylphenyl)butan-2-ol
CID 93299009
3-hydroxy-2-propan-2-yl-3-(4-propan-2-ylphenyl)butanoic acid
CID 62396641
(2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol
CID 97294233
(2R)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol
CID 97294234
2-[4-(5-iodo-2-methylhexan-3-yl)phenyl]-3-methylbutan-2-ol
CID 126639821
4,4,5,5,5-pentafluoro-2-(4-propan-2-ylphenyl)pentan-2-ol
CID 156764645
4,5,5,5-tetrafluoro-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)pentan-2-ol
CID 156765582
2-hydroxy-2-(4-propan-2-ylphenyl)propanoic acid
CID 19855513
(2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol
CID 94334038
(1S)-1-cyclopropyl-1-(4-propan-2-ylphenyl)ethanol
CID 94604529

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol?
The IUPAC name of 3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol (CID 62800591) is 3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol.
What is the SMILES notation for 3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol?
The canonical SMILES for 3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol is CC(C)c1ccc(C(C)(O)C(C)C)cc1.
What is the InChIKey of 3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol?
The InChIKey is QVVLKOZMSQVURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-10(2)12-6-8-13(9-7-12)14(5,15)11(3)4/h6-11,15H,1-5H3.
What are the key properties of 3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol?
3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol has a molecular weight of 206.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol is sourced from PubChem (CID 62800591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).