3-(2-methylpropoxy)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane

C16H24O5 — CID 174368785

IUPAC3-(2-methylpropoxy)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CC(C)COc1cccc(O)c1
InChIInChI=1S/C10H14O2.C6H10O3/c1-8(2)7-12-10-5-3-4-9(11)6-10;1(5-3-8-5)7-2-6-4-9-6/h3-6,8,11H,7H2,1-2H3;5-6H,1-4H2
InChIKeyTVBITLXGDRSXGK-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.23
Rot. Bonds7

About 3-(2-methylpropoxy)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane

3-(2-methylpropoxy)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 174368785) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-(2-methylpropoxy)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name3-(2-methylpropoxy)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID174368785
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name3-(2-methylpropoxy)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CC(C)COc1cccc(O)c1
InChIInChI=1S/C10H14O2.C6H10O3/c1-8(2)7-12-10-5-3-4-9(11)6-10;1(5-3-8-5)7-2-6-4-9-6/h3-6,8,11H,7H2,1-2H3;5-6H,1-4H2
InChIKeyTVBITLXGDRSXGK-UHFFFAOYSA-N
XLogP2.23
TPSA63.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-hydroxyphenyl) hypochlorite;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174645892
3-[2-[3-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenol
CID 162758464
3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306
3-(2-fluoropropoxy)phenol
CID 84653742
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
2-(oxiran-2-ylmethoxymethyl)oxirane;3-pentadecylphenol
CID 88787409
oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol
CID 87608532
2-[(3-tert-butylphenoxy)methyl]oxirane
CID 22640892
1-[2-[2-hydroxy-3-[3-[(E)-pentadec-10-enyl]phenoxy]propoxy]propoxy]-3-[3-[(E)-pentadec-10-enyl]phenoxy]propan-2-ol;2-[1-(oxiran-2-ylmethoxy)propan-2-yloxymethyl]oxirane;3-[(E)-pentadec-10-enyl]phenol
CID 159279370
benzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174448667
naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane
CID 167603505

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 3-(2-methylpropoxy)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 174368785) is 3-(2-methylpropoxy)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 3-(2-methylpropoxy)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 3-(2-methylpropoxy)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.CC(C)COc1cccc(O)c1.
What is the InChIKey of 3-(2-methylpropoxy)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is TVBITLXGDRSXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.C6H10O3/c1-8(2)7-12-10-5-3-4-9(11)6-10;1(5-3-8-5)7-2-6-4-9-6/h3-6,8,11H,7H2,1-2H3;5-6H,1-4H2.
What are the key properties of 3-(2-methylpropoxy)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
3-(2-methylpropoxy)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 296.36 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 174368785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).