4-[2,3-diethyl-3-(4-hydroxyphenyl)oxiran-2-yl]phenol

C18H20O3 — CID 22415

IUPAC4-[2,3-diethyl-3-(4-hydroxyphenyl)oxiran-2-yl]phenol
SMILESCCC1(c2ccc(O)cc2)OC1(CC)c1ccc(O)cc1
InChIInChI=1S/C18H20O3/c1-3-17(13-5-9-15(19)10-6-13)18(4-2,21-17)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3
InChIKeyXOZFXKUFVFLGAB-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.04
Rot. Bonds4

About 4-[2,3-diethyl-3-(4-hydroxyphenyl)oxiran-2-yl]phenol

4-[2,3-diethyl-3-(4-hydroxyphenyl)oxiran-2-yl]phenol (PubChem CID 22415) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[2,3-diethyl-3-(4-hydroxyphenyl)oxiran-2-yl]phenol.

Molecular Properties

Compound Name4-[2,3-diethyl-3-(4-hydroxyphenyl)oxiran-2-yl]phenol
PubChem CID22415
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name4-[2,3-diethyl-3-(4-hydroxyphenyl)oxiran-2-yl]phenol
SMILESCCC1(c2ccc(O)cc2)OC1(CC)c1ccc(O)cc1
InChIInChI=1S/C18H20O3/c1-3-17(13-5-9-15(19)10-6-13)18(4-2,21-17)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3
InChIKeyXOZFXKUFVFLGAB-UHFFFAOYSA-N
XLogP4.04
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Diethylstilbestrol
CID 448537
Bisphenol A
CID 6623
Dienestrol
CID 667476
Hexestrol
CID 192197
4,4'-Dihydroxybiphenyl
CID 7112
Bisphenol B
CID 66166
4-Cumylphenol
CID 11742
4-Hydroxybiphenyl
CID 7103
Diethylstilbesterol
CID 3054
4-(Methoxymethyl)phenol
CID 79310
4-methyl-2,4-bis(4-hydroxyphenyl)pent-1-ene
CID 83494
Bisphenol E
CID 608116

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-diethyl-3-(4-hydroxyphenyl)oxiran-2-yl]phenol?
The IUPAC name of 4-[2,3-diethyl-3-(4-hydroxyphenyl)oxiran-2-yl]phenol (CID 22415) is 4-[2,3-diethyl-3-(4-hydroxyphenyl)oxiran-2-yl]phenol.
What is the SMILES notation for 4-[2,3-diethyl-3-(4-hydroxyphenyl)oxiran-2-yl]phenol?
The canonical SMILES for 4-[2,3-diethyl-3-(4-hydroxyphenyl)oxiran-2-yl]phenol is CCC1(c2ccc(O)cc2)OC1(CC)c1ccc(O)cc1.
What is the InChIKey of 4-[2,3-diethyl-3-(4-hydroxyphenyl)oxiran-2-yl]phenol?
The InChIKey is XOZFXKUFVFLGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-3-17(13-5-9-15(19)10-6-13)18(4-2,21-17)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3.
What are the key properties of 4-[2,3-diethyl-3-(4-hydroxyphenyl)oxiran-2-yl]phenol?
4-[2,3-diethyl-3-(4-hydroxyphenyl)oxiran-2-yl]phenol has a molecular weight of 284.36 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-diethyl-3-(4-hydroxyphenyl)oxiran-2-yl]phenol is sourced from PubChem (CID 22415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).