2-tert-butyl-4-(1-phenylethyl)phenol

C18H22O — CID 23036863

IUPAC2-tert-butyl-4-(1-phenylethyl)phenol
SMILESCC(c1ccccc1)c1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H22O/c1-13(14-8-6-5-7-9-14)15-10-11-17(19)16(12-15)18(2,3)4/h5-13,19H,1-4H3
InChIKeyWXTLZWAJJLODMS-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.84
Rot. Bonds2

About 2-tert-butyl-4-(1-phenylethyl)phenol

2-tert-butyl-4-(1-phenylethyl)phenol (PubChem CID 23036863) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-tert-butyl-4-(1-phenylethyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-4-(1-phenylethyl)phenol
PubChem CID23036863
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name2-tert-butyl-4-(1-phenylethyl)phenol
SMILESCC(c1ccccc1)c1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H22O/c1-13(14-8-6-5-7-9-14)15-10-11-17(19)16(12-15)18(2,3)4/h5-13,19H,1-4H3
InChIKeyWXTLZWAJJLODMS-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 87504919
2-tert-butyl-4-propan-2-ylphenol
CID 24240
4-[1-(3-methylphenyl)ethyl]-2-(2-phenylpropan-2-yl)phenol
CID 91605400
2-tert-butyl-4-methyl-5-[(1R)-1-phenylethyl]phenol
CID 1270910
2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 11402235
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
4-[1-(4-hydroxy-3-phenylphenyl)ethyl]-2-phenylphenol
CID 22492717
2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol
CID 1271819
2-tert-butyl-4-[1-[4-[1-(3-tert-butyl-4-hydroxyphenyl)-4,5,5-trimethylhexyl]-2,3,5,6-tetramethylphenyl]-4,5,5-trimethylhexyl]phenol
CID 175249442
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(1-phenylethyl)phenol?
The IUPAC name of 2-tert-butyl-4-(1-phenylethyl)phenol (CID 23036863) is 2-tert-butyl-4-(1-phenylethyl)phenol.
What is the SMILES notation for 2-tert-butyl-4-(1-phenylethyl)phenol?
The canonical SMILES for 2-tert-butyl-4-(1-phenylethyl)phenol is CC(c1ccccc1)c1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-(1-phenylethyl)phenol?
The InChIKey is WXTLZWAJJLODMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-13(14-8-6-5-7-9-14)15-10-11-17(19)16(12-15)18(2,3)4/h5-13,19H,1-4H3.
What are the key properties of 2-tert-butyl-4-(1-phenylethyl)phenol?
2-tert-butyl-4-(1-phenylethyl)phenol has a molecular weight of 254.37 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(1-phenylethyl)phenol is sourced from PubChem (CID 23036863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).