2-(2-hydroxyphenyl)-3,3,5,5-tetramethylcyclohexen-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane

C22H32O5 — CID 175107460

IUPAC2-(2-hydroxyphenyl)-3,3,5,5-tetramethylcyclohexen-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CC1(C)CC(O)=C(c2ccccc2O)C(C)(C)C1
InChIInChI=1S/C16H22O2.C6H10O3/c1-15(2)9-13(18)14(16(3,4)10-15)11-7-5-6-8-12(11)17;1(5-3-8-5)7-2-6-4-9-6/h5-8,17-18H,9-10H2,1-4H3;5-6H,1-4H2
InChIKeyYJWYXJQQVQZVRD-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.31
Rot. Bonds5

About 2-(2-hydroxyphenyl)-3,3,5,5-tetramethylcyclohexen-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane

2-(2-hydroxyphenyl)-3,3,5,5-tetramethylcyclohexen-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 175107460) has the molecular formula C22H32O5 and a molecular weight of 376.49 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-3,3,5,5-tetramethylcyclohexen-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-3,3,5,5-tetramethylcyclohexen-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID175107460
Molecular FormulaC22H32O5
Molecular Weight376.49 g/mol
Exact Mass376.22
IUPAC Name2-(2-hydroxyphenyl)-3,3,5,5-tetramethylcyclohexen-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CC1(C)CC(O)=C(c2ccccc2O)C(C)(C)C1
InChIInChI=1S/C16H22O2.C6H10O3/c1-15(2)9-13(18)14(16(3,4)10-15)11-7-5-6-8-12(11)17;1(5-3-8-5)7-2-6-4-9-6/h5-8,17-18H,9-10H2,1-4H3;5-6H,1-4H2
InChIKeyYJWYXJQQVQZVRD-UHFFFAOYSA-N
XLogP4.31
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxyphenyl)-3,3,5,5-tetramethylcyclohexen-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane with MolForge

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Related Compounds

2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,4,5-tetratert-butyl-6-(2-hydroxyphenyl)phenol
CID 174988323
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bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
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CID 174448667
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2-(oxiran-2-ylmethoxymethyl)oxirane;3-phenylphenol
CID 86652086
1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
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CID 175012278
aniline;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158083266
2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane
CID 162075720

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-3,3,5,5-tetramethylcyclohexen-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 2-(2-hydroxyphenyl)-3,3,5,5-tetramethylcyclohexen-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 175107460) is 2-(2-hydroxyphenyl)-3,3,5,5-tetramethylcyclohexen-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 2-(2-hydroxyphenyl)-3,3,5,5-tetramethylcyclohexen-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 2-(2-hydroxyphenyl)-3,3,5,5-tetramethylcyclohexen-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.CC1(C)CC(O)=C(c2ccccc2O)C(C)(C)C1.
What is the InChIKey of 2-(2-hydroxyphenyl)-3,3,5,5-tetramethylcyclohexen-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is YJWYXJQQVQZVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2.C6H10O3/c1-15(2)9-13(18)14(16(3,4)10-15)11-7-5-6-8-12(11)17;1(5-3-8-5)7-2-6-4-9-6/h5-8,17-18H,9-10H2,1-4H3;5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyphenyl)-3,3,5,5-tetramethylcyclohexen-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane?
2-(2-hydroxyphenyl)-3,3,5,5-tetramethylcyclohexen-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 376.49 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-3,3,5,5-tetramethylcyclohexen-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 175107460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).