4-[2-cyclobutyl-2-(4-hydroxyphenyl)ethyl]phenol

C18H20O2 — CID 151360371

IUPAC4-[2-cyclobutyl-2-(4-hydroxyphenyl)ethyl]phenol
SMILESOc1ccc(CC(c2ccc(O)cc2)C2CCC2)cc1
InChIInChI=1S/C18H20O2/c19-16-8-4-13(5-9-16)12-18(14-2-1-3-14)15-6-10-17(20)11-7-15/h4-11,14,18-20H,1-3,12H2
InChIKeyOOIQFFZGKLVJKL-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.22
Rot. Bonds4

About 4-[2-cyclobutyl-2-(4-hydroxyphenyl)ethyl]phenol

4-[2-cyclobutyl-2-(4-hydroxyphenyl)ethyl]phenol (PubChem CID 151360371) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[2-cyclobutyl-2-(4-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-cyclobutyl-2-(4-hydroxyphenyl)ethyl]phenol
PubChem CID151360371
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-[2-cyclobutyl-2-(4-hydroxyphenyl)ethyl]phenol
SMILESOc1ccc(CC(c2ccc(O)cc2)C2CCC2)cc1
InChIInChI=1S/C18H20O2/c19-16-8-4-13(5-9-16)12-18(14-2-1-3-14)15-6-10-17(20)11-7-15/h4-11,14,18-20H,1-3,12H2
InChIKeyOOIQFFZGKLVJKL-UHFFFAOYSA-N
XLogP4.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-Pentylphenol
CID 6643
Diethylstilbestrol
CID 448537
Bisphenol A
CID 6623
2-Naphthol
CID 8663
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017
4-tert-Butylphenol
CID 7393
Tyrosol
CID 10393
Magnolol
CID 72300
Hexestrol
CID 192197
4-Nonylphenol
CID 1752
2,4-Di-tert-butylphenol
CID 7311

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclobutyl-2-(4-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 4-[2-cyclobutyl-2-(4-hydroxyphenyl)ethyl]phenol (CID 151360371) is 4-[2-cyclobutyl-2-(4-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 4-[2-cyclobutyl-2-(4-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 4-[2-cyclobutyl-2-(4-hydroxyphenyl)ethyl]phenol is Oc1ccc(CC(c2ccc(O)cc2)C2CCC2)cc1.
What is the InChIKey of 4-[2-cyclobutyl-2-(4-hydroxyphenyl)ethyl]phenol?
The InChIKey is OOIQFFZGKLVJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c19-16-8-4-13(5-9-16)12-18(14-2-1-3-14)15-6-10-17(20)11-7-15/h4-11,14,18-20H,1-3,12H2.
What are the key properties of 4-[2-cyclobutyl-2-(4-hydroxyphenyl)ethyl]phenol?
4-[2-cyclobutyl-2-(4-hydroxyphenyl)ethyl]phenol has a molecular weight of 268.36 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclobutyl-2-(4-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 151360371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).