4-[1-(4-hydroxyphenyl)ethyl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane

C20H24O5 — CID 22107305

IUPAC4-[1-(4-hydroxyphenyl)ethyl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CC(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C14H14O2.C6H10O3/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12;1(5-3-8-5)7-2-6-4-9-6/h2-10,15-16H,1H3;5-6H,1-4H2
InChIKeyULSHRDZJCCFKFL-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.05
Rot. Bonds6

About 4-[1-(4-hydroxyphenyl)ethyl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane

4-[1-(4-hydroxyphenyl)ethyl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 22107305) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)ethyl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)ethyl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID22107305
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name4-[1-(4-hydroxyphenyl)ethyl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CC(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C14H14O2.C6H10O3/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12;1(5-3-8-5)7-2-6-4-9-6/h2-10,15-16H,1H3;5-6H,1-4H2
InChIKeyULSHRDZJCCFKFL-UHFFFAOYSA-N
XLogP3.05
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158653156
4-[(4-hydroxyphenyl)-(oxiran-2-ylmethoxy)methyl]phenol
CID 57092971
4-[1-(oxiran-2-yl)propan-2-yl]phenol
CID 140856191
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol
CID 87608532
4-(3,5-diethyl-4-hydroxyphenyl)-2,6-diethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87268723
4-[1-(4-hydroxyphenyl)-2-methylcyclohexyl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175043202
3-(2-methylpropoxy)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174368785
methane;4-(oxiran-2-ylmethoxy)phenol
CID 159818409
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene
CID 126511442
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enoic acid
CID 175055278
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)ethyl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 4-[1-(4-hydroxyphenyl)ethyl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 22107305) is 4-[1-(4-hydroxyphenyl)ethyl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)ethyl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)ethyl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.CC(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)ethyl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is ULSHRDZJCCFKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2.C6H10O3/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12;1(5-3-8-5)7-2-6-4-9-6/h2-10,15-16H,1H3;5-6H,1-4H2.
What are the key properties of 4-[1-(4-hydroxyphenyl)ethyl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
4-[1-(4-hydroxyphenyl)ethyl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 344.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)ethyl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 22107305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).