2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol

C18H22O2 — CID 87504919

IUPAC2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol
SMILESCC(c1ccc(O)cc1)c1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H22O2/c1-12(13-5-8-15(19)9-6-13)14-7-10-17(20)16(11-14)18(2,3)4/h5-12,19-20H,1-4H3
InChIKeyJGYHQWLDRHSGMH-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.55
Rot. Bonds2

About 2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol

2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol (PubChem CID 87504919) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol
PubChem CID87504919
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol
SMILESCC(c1ccc(O)cc1)c1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H22O2/c1-12(13-5-8-15(19)9-6-13)14-7-10-17(20)16(11-14)18(2,3)4/h5-12,19-20H,1-4H3
InChIKeyJGYHQWLDRHSGMH-UHFFFAOYSA-N
XLogP4.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-4-(1-phenylethyl)phenol
CID 23036863
2-tert-butyl-4-propan-2-ylphenol
CID 24240
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
N'-acetyl-2-(3-tert-butyl-4-hydroxyphenyl)propanehydrazide
CID 57160319
4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]-3-methylphenyl]ethyl]phenol
CID 91269009
2-tert-butylbenzene-1,4-diol;ethanol
CID 158505394
1-(3-tert-butyl-4-hydroxyphenyl)butane-1,2,4-triol
CID 171872892
4-[1-(4-methylphenyl)ethyl]phenol
CID 23036862
3-(3-tert-butyl-4-hydroxyphenyl)-N'-[3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]-4,4-dimethylpentanehydrazide
CID 54517850
2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol
CID 18178010
cyanic acid;4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 68900127
3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanal
CID 19734901

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol (CID 87504919) is 2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol is CC(c1ccc(O)cc1)c1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol?
The InChIKey is JGYHQWLDRHSGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-12(13-5-8-15(19)9-6-13)14-7-10-17(20)16(11-14)18(2,3)4/h5-12,19-20H,1-4H3.
What are the key properties of 2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol?
2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol has a molecular weight of 270.37 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 87504919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).