2-[3-(2-methylpropyl)phenyl]butan-2-ol

C14H22O — CID 116542302

IUPAC2-[3-(2-methylpropyl)phenyl]butan-2-ol
SMILESCCC(C)(O)c1cccc(CC(C)C)c1
InChIInChI=1S/C14H22O/c1-5-14(4,15)13-8-6-7-12(10-13)9-11(2)3/h6-8,10-11,15H,5,9H2,1-4H3
InChIKeyDVGGLYNVHWSTAW-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.50
Rot. Bonds4

About 2-[3-(2-methylpropyl)phenyl]butan-2-ol

2-[3-(2-methylpropyl)phenyl]butan-2-ol (PubChem CID 116542302) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)phenyl]butan-2-ol.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)phenyl]butan-2-ol
PubChem CID116542302
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-[3-(2-methylpropyl)phenyl]butan-2-ol
SMILESCCC(C)(O)c1cccc(CC(C)C)c1
InChIInChI=1S/C14H22O/c1-5-14(4,15)13-8-6-7-12(10-13)9-11(2)3/h6-8,10-11,15H,5,9H2,1-4H3
InChIKeyDVGGLYNVHWSTAW-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

1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol
CID 116542792
2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-ol
CID 116542343
2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol
CID 116546306
2-[4-(2-methylpropyl)phenyl]butan-2-ol
CID 91656197
1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol
CID 116542889
1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116542789
2-(3-tert-butylphenyl)butan-2-ol
CID 91655645
1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116542275
2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol
CID 105425775
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117286468
2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid
CID 116545513
2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine
CID 116542994

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)phenyl]butan-2-ol?
The IUPAC name of 2-[3-(2-methylpropyl)phenyl]butan-2-ol (CID 116542302) is 2-[3-(2-methylpropyl)phenyl]butan-2-ol.
What is the SMILES notation for 2-[3-(2-methylpropyl)phenyl]butan-2-ol?
The canonical SMILES for 2-[3-(2-methylpropyl)phenyl]butan-2-ol is CCC(C)(O)c1cccc(CC(C)C)c1.
What is the InChIKey of 2-[3-(2-methylpropyl)phenyl]butan-2-ol?
The InChIKey is DVGGLYNVHWSTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-14(4,15)13-8-6-7-12(10-13)9-11(2)3/h6-8,10-11,15H,5,9H2,1-4H3.
What are the key properties of 2-[3-(2-methylpropyl)phenyl]butan-2-ol?
2-[3-(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-[3-(2-methylpropyl)phenyl]butan-2-ol is sourced from PubChem (CID 116542302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).