2-tert-butyl-3,5-dimethyl-4-phenylphenol

C18H22O — CID 142778103

IUPAC2-tert-butyl-3,5-dimethyl-4-phenylphenol
SMILESCc1cc(O)c(C(C)(C)C)c(C)c1-c1ccccc1
InChIInChI=1S/C18H22O/c1-12-11-15(19)17(18(3,4)5)13(2)16(12)14-9-7-6-8-10-14/h6-11,19H,1-5H3
InChIKeyRDWSVGJADFITLQ-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.97
Rot. Bonds1

About 2-tert-butyl-3,5-dimethyl-4-phenylphenol

2-tert-butyl-3,5-dimethyl-4-phenylphenol (PubChem CID 142778103) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-tert-butyl-3,5-dimethyl-4-phenylphenol.

Molecular Properties

Compound Name2-tert-butyl-3,5-dimethyl-4-phenylphenol
PubChem CID142778103
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name2-tert-butyl-3,5-dimethyl-4-phenylphenol
SMILESCc1cc(O)c(C(C)(C)C)c(C)c1-c1ccccc1
InChIInChI=1S/C18H22O/c1-12-11-15(19)17(18(3,4)5)13(2)16(12)14-9-7-6-8-10-14/h6-11,19H,1-5H3
InChIKeyRDWSVGJADFITLQ-UHFFFAOYSA-N
XLogP4.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-4-phenylbenzene-1,2,3-triol
CID 101299656
6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde
CID 45097937
1,2,3,5-tetramethyl-4-phenylbenzene
CID 14973977
1-tert-butyl-3-methyl-2,4-diphenylnaphthalene
CID 10569884
2-[2-(hydroxymethyl)-3,5-dimethyl-4-phenylphenyl]phenol
CID 174919827
3,5-ditert-butyl-2-phenylphenol;titanium(2+);dichloride
CID 174365709
1,2,5-trimethyl-3,4-diphenylbenzene
CID 19420158
(3,5-dimethyl-2,6-diphenylphenyl)boronic acid
CID 178131684
3,6-ditert-butyl-2-phenylphenol
CID 88520586
5-methyl-6-phenylbenzene-1,2,4-triol
CID 101299657
6-tert-butyl-3,4-diphenylnaphthalen-1-ol
CID 138969967
3-tert-butyl-2,5-dimethylbenzene-1,4-diol
CID 58864787

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,5-dimethyl-4-phenylphenol?
The IUPAC name of 2-tert-butyl-3,5-dimethyl-4-phenylphenol (CID 142778103) is 2-tert-butyl-3,5-dimethyl-4-phenylphenol.
What is the SMILES notation for 2-tert-butyl-3,5-dimethyl-4-phenylphenol?
The canonical SMILES for 2-tert-butyl-3,5-dimethyl-4-phenylphenol is Cc1cc(O)c(C(C)(C)C)c(C)c1-c1ccccc1.
What is the InChIKey of 2-tert-butyl-3,5-dimethyl-4-phenylphenol?
The InChIKey is RDWSVGJADFITLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-12-11-15(19)17(18(3,4)5)13(2)16(12)14-9-7-6-8-10-14/h6-11,19H,1-5H3.
What are the key properties of 2-tert-butyl-3,5-dimethyl-4-phenylphenol?
2-tert-butyl-3,5-dimethyl-4-phenylphenol has a molecular weight of 254.37 g/mol, XLogP of 4.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,5-dimethyl-4-phenylphenol is sourced from PubChem (CID 142778103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).