4-[(4-hydroxyphenyl)-(oxiran-2-ylmethoxy)methyl]phenol

C16H16O4 — CID 57092971

IUPAC4-[(4-hydroxyphenyl)-(oxiran-2-ylmethoxy)methyl]phenol
SMILESOc1ccc(C(OCC2CO2)c2ccc(O)cc2)cc1
InChIInChI=1S/C16H16O4/c17-13-5-1-11(2-6-13)16(20-10-15-9-19-15)12-3-7-14(18)8-4-12/h1-8,15-18H,9-10H2
InChIKeyMQYGUEIYUJFXEQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.60
Rot. Bonds5

About 4-[(4-hydroxyphenyl)-(oxiran-2-ylmethoxy)methyl]phenol

4-[(4-hydroxyphenyl)-(oxiran-2-ylmethoxy)methyl]phenol (PubChem CID 57092971) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)-(oxiran-2-ylmethoxy)methyl]phenol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)-(oxiran-2-ylmethoxy)methyl]phenol
PubChem CID57092971
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name4-[(4-hydroxyphenyl)-(oxiran-2-ylmethoxy)methyl]phenol
SMILESOc1ccc(C(OCC2CO2)c2ccc(O)cc2)cc1
InChIInChI=1S/C16H16O4/c17-13-5-1-11(2-6-13)16(20-10-15-9-19-15)12-3-7-14(18)8-4-12/h1-8,15-18H,9-10H2
InChIKeyMQYGUEIYUJFXEQ-UHFFFAOYSA-N
XLogP2.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane
CID 3549326
(2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane
CID 2507782
bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158653156
4-[1-(4-hydroxyphenyl)ethyl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 22107305
methane;4-(oxiran-2-ylmethoxy)phenol
CID 159818409
4-[1-(oxiran-2-yl)propan-2-yl]phenol
CID 140856191
(2R)-2-[[(R)-(2,6-dimethylphenyl)-phenylmethoxy]methyl]oxirane
CID 125496560
2-[bis(2,6-dimethylphenyl)methoxymethyl]oxirane
CID 14810466
(2S)-2-[[(1R)-1-(4-methylphenyl)ethoxy]methyl]oxirane
CID 97180239
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethoxy]methyl]oxirane
CID 2507807
(2S)-2-[[(1R)-1-(4-tert-butylphenyl)ethoxy]methyl]oxirane
CID 97180279
oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol
CID 87608532

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)-(oxiran-2-ylmethoxy)methyl]phenol?
The IUPAC name of 4-[(4-hydroxyphenyl)-(oxiran-2-ylmethoxy)methyl]phenol (CID 57092971) is 4-[(4-hydroxyphenyl)-(oxiran-2-ylmethoxy)methyl]phenol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)-(oxiran-2-ylmethoxy)methyl]phenol?
The canonical SMILES for 4-[(4-hydroxyphenyl)-(oxiran-2-ylmethoxy)methyl]phenol is Oc1ccc(C(OCC2CO2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)-(oxiran-2-ylmethoxy)methyl]phenol?
The InChIKey is MQYGUEIYUJFXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c17-13-5-1-11(2-6-13)16(20-10-15-9-19-15)12-3-7-14(18)8-4-12/h1-8,15-18H,9-10H2.
What are the key properties of 4-[(4-hydroxyphenyl)-(oxiran-2-ylmethoxy)methyl]phenol?
4-[(4-hydroxyphenyl)-(oxiran-2-ylmethoxy)methyl]phenol has a molecular weight of 272.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)-(oxiran-2-ylmethoxy)methyl]phenol is sourced from PubChem (CID 57092971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).