3-[2-[3-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenol

C18H20O3 — CID 162758464

IUPAC3-[2-[3-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenol
SMILESCC(C)(c1cccc(O)c1)c1cccc(OCC2CO2)c1
InChIInChI=1S/C18H20O3/c1-18(2,13-5-3-7-15(19)9-13)14-6-4-8-16(10-14)20-11-17-12-21-17/h3-10,17,19H,11-12H2,1-2H3
InChIKeyPQSZDGXCHZTFET-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.50
Rot. Bonds5

About 3-[2-[3-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenol

3-[2-[3-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenol (PubChem CID 162758464) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[2-[3-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name3-[2-[3-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenol
PubChem CID162758464
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name3-[2-[3-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenol
SMILESCC(C)(c1cccc(O)c1)c1cccc(OCC2CO2)c1
InChIInChI=1S/C18H20O3/c1-18(2,13-5-3-7-15(19)9-13)14-6-4-8-16(10-14)20-11-17-12-21-17/h3-10,17,19H,11-12H2,1-2H3
InChIKeyPQSZDGXCHZTFET-UHFFFAOYSA-N
XLogP3.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-tert-butylphenoxy)methyl]oxirane
CID 22640892
4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol
CID 88996492
1,3-ditert-butylbenzene;ethane;methane;bis(2-(phenoxymethyl)oxirane)
CID 160560023
3-(2-methylpropoxy)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174368785
4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 161041775
2-[[3,5-bis[2-methyl-1-[3-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 155228870
(3-hydroxyphenyl) hypochlorite;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174645892
naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane
CID 167603505
2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;tris(2-(phenoxymethyl)oxirane);propane;2,4,6-tribromophenol
CID 157133454
2-[(3-tert-butylphenoxy)methyl]oxolane
CID 59734486
2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 59027775
2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 18780787

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenol?
The IUPAC name of 3-[2-[3-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenol (CID 162758464) is 3-[2-[3-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenol.
What is the SMILES notation for 3-[2-[3-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenol?
The canonical SMILES for 3-[2-[3-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenol is CC(C)(c1cccc(O)c1)c1cccc(OCC2CO2)c1.
What is the InChIKey of 3-[2-[3-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenol?
The InChIKey is PQSZDGXCHZTFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-18(2,13-5-3-7-15(19)9-13)14-6-4-8-16(10-14)20-11-17-12-21-17/h3-10,17,19H,11-12H2,1-2H3.
What are the key properties of 3-[2-[3-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenol?
3-[2-[3-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenol has a molecular weight of 284.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenol is sourced from PubChem (CID 162758464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).