2-tert-butylphenol;2-methylprop-1-ene

C14H22O — CID 160954539

IUPAC2-tert-butylphenol;2-methylprop-1-ene
SMILESC=C(C)C.CC(C)(C)c1ccccc1O
InChIInChI=1S/C10H14O.C4H8/c1-10(2,3)8-6-4-5-7-9(8)11;1-4(2)3/h4-7,11H,1-3H3;1H2,2-3H3
InChIKeySWFBLHGSXAJLIV-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.27
Rot. Bonds

About 2-tert-butylphenol;2-methylprop-1-ene

2-tert-butylphenol;2-methylprop-1-ene (PubChem CID 160954539) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-tert-butylphenol;2-methylprop-1-ene.

Molecular Properties

Compound Name2-tert-butylphenol;2-methylprop-1-ene
PubChem CID160954539
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-tert-butylphenol;2-methylprop-1-ene
SMILESC=C(C)C.CC(C)(C)c1ccccc1O
InChIInChI=1S/C10H14O.C4H8/c1-10(2,3)8-6-4-5-7-9(8)11;1-4(2)3/h4-7,11H,1-3H3;1H2,2-3H3
InChIKeySWFBLHGSXAJLIV-UHFFFAOYSA-N
XLogP4.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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2-tert-butylphenol;toluene
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CID 19042670
tris(1,2-ditert-butylbenzene);methanol
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2-tert-butylphenol;2-prop-2-enylphenol
CID 88688446
2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate
CID 162321834
4,6-ditert-butyl-2-(3,5-ditert-butyl-2,6-dihydroxyphenyl)benzene-1,3-diol;2-(2,6-dihydroxyphenyl)benzene-1,3-diol;2-methylprop-1-ene
CID 160896399
CID 175472927
CID 175472927
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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylphenol;2-methylprop-1-ene?
The IUPAC name of 2-tert-butylphenol;2-methylprop-1-ene (CID 160954539) is 2-tert-butylphenol;2-methylprop-1-ene.
What is the SMILES notation for 2-tert-butylphenol;2-methylprop-1-ene?
The canonical SMILES for 2-tert-butylphenol;2-methylprop-1-ene is C=C(C)C.CC(C)(C)c1ccccc1O.
What is the InChIKey of 2-tert-butylphenol;2-methylprop-1-ene?
The InChIKey is SWFBLHGSXAJLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C4H8/c1-10(2,3)8-6-4-5-7-9(8)11;1-4(2)3/h4-7,11H,1-3H3;1H2,2-3H3.
What are the key properties of 2-tert-butylphenol;2-methylprop-1-ene?
2-tert-butylphenol;2-methylprop-1-ene has a molecular weight of 206.33 g/mol, XLogP of 4.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylphenol;2-methylprop-1-ene is sourced from PubChem (CID 160954539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).