4-tert-butyl-2-cyclohexylphenol;methane

C17H28O — CID 174535578

IUPAC4-tert-butyl-2-cyclohexylphenol;methane
SMILESC.CC(C)(C)c1ccc(O)c(C2CCCCC2)c1
InChIInChI=1S/C16H24O.CH4/c1-16(2,3)13-9-10-15(17)14(11-13)12-7-5-4-6-8-12;/h9-12,17H,4-8H2,1-3H3;1H4
InChIKeyHYNUKFDHUGZQQT-UHFFFAOYSA-N
MW248.41 g/mol
LogP5.37
Rot. Bonds1

About 4-tert-butyl-2-cyclohexylphenol;methane

4-tert-butyl-2-cyclohexylphenol;methane (PubChem CID 174535578) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-tert-butyl-2-cyclohexylphenol;methane.

Molecular Properties

Compound Name4-tert-butyl-2-cyclohexylphenol;methane
PubChem CID174535578
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name4-tert-butyl-2-cyclohexylphenol;methane
SMILESC.CC(C)(C)c1ccc(O)c(C2CCCCC2)c1
InChIInChI=1S/C16H24O.CH4/c1-16(2,3)13-9-10-15(17)14(11-13)12-7-5-4-6-8-12;/h9-12,17H,4-8H2,1-3H3;1H4
InChIKeyHYNUKFDHUGZQQT-UHFFFAOYSA-N
XLogP5.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-butan-2-yl-4-[2-(3-butan-2-yl-4-hydroxyphenyl)propan-2-yl]phenol;2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)propan-2-yl]phenol;2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propan-2-yl]phenol
CID 88505716
2,3-ditert-butyl-4-cyclohexylphenol
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4-amino-2-cyclohexylphenol
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4-bromo-2-cyclohexylphenol
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3-cyclohexyl-4-hydroxybenzoic acid
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4-bromo-2-cyclopentylphenol
CID 23090734
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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-cyclohexylphenol;methane?
The IUPAC name of 4-tert-butyl-2-cyclohexylphenol;methane (CID 174535578) is 4-tert-butyl-2-cyclohexylphenol;methane.
What is the SMILES notation for 4-tert-butyl-2-cyclohexylphenol;methane?
The canonical SMILES for 4-tert-butyl-2-cyclohexylphenol;methane is C.CC(C)(C)c1ccc(O)c(C2CCCCC2)c1.
What is the InChIKey of 4-tert-butyl-2-cyclohexylphenol;methane?
The InChIKey is HYNUKFDHUGZQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O.CH4/c1-16(2,3)13-9-10-15(17)14(11-13)12-7-5-4-6-8-12;/h9-12,17H,4-8H2,1-3H3;1H4.
What are the key properties of 4-tert-butyl-2-cyclohexylphenol;methane?
4-tert-butyl-2-cyclohexylphenol;methane has a molecular weight of 248.41 g/mol, XLogP of 5.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-cyclohexylphenol;methane is sourced from PubChem (CID 174535578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).