2-tert-butylphenol;toluene

C17H22O — CID 175493501

IUPAC2-tert-butylphenol;toluene
SMILESCC(C)(C)c1ccccc1O.Cc1ccccc1
InChIInChI=1S/C10H14O.C7H8/c1-10(2,3)8-6-4-5-7-9(8)11;1-7-5-3-2-4-6-7/h4-7,11H,1-3H3;2-6H,1H3
InChIKeyHJROJTBHKPFUHV-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.68
Rot. Bonds

About 2-tert-butylphenol;toluene

2-tert-butylphenol;toluene (PubChem CID 175493501) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-tert-butylphenol;toluene.

Molecular Properties

Compound Name2-tert-butylphenol;toluene
PubChem CID175493501
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name2-tert-butylphenol;toluene
SMILESCC(C)(C)c1ccccc1O.Cc1ccccc1
InChIInChI=1S/C10H14O.C7H8/c1-10(2,3)8-6-4-5-7-9(8)11;1-7-5-3-2-4-6-7/h4-7,11H,1-3H3;2-6H,1H3
InChIKeyHJROJTBHKPFUHV-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 172777673
CID 172777673
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CID 19042670
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CID 178022822
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CID 158487474
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CID 101240530
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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylphenol;toluene?
The IUPAC name of 2-tert-butylphenol;toluene (CID 175493501) is 2-tert-butylphenol;toluene.
What is the SMILES notation for 2-tert-butylphenol;toluene?
The canonical SMILES for 2-tert-butylphenol;toluene is CC(C)(C)c1ccccc1O.Cc1ccccc1.
What is the InChIKey of 2-tert-butylphenol;toluene?
The InChIKey is HJROJTBHKPFUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C7H8/c1-10(2,3)8-6-4-5-7-9(8)11;1-7-5-3-2-4-6-7/h4-7,11H,1-3H3;2-6H,1H3.
What are the key properties of 2-tert-butylphenol;toluene?
2-tert-butylphenol;toluene has a molecular weight of 242.36 g/mol, XLogP of 4.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylphenol;toluene is sourced from PubChem (CID 175493501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).