4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol

C18H20O3 — CID 88996492

IUPAC4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(OC[C@@H]2CO2)cc1
InChIInChI=1S/C18H20O3/c1-18(2,13-3-7-15(19)8-4-13)14-5-9-16(10-6-14)20-11-17-12-21-17/h3-10,17,19H,11-12H2,1-2H3/t17-/m1/s1
InChIKeyDGUJJOYLOCXENZ-QGZVFWFLSA-N
MW284.36 g/mol
LogP3.50
Rot. Bonds5

About 4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol

4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol (PubChem CID 88996492) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol
PubChem CID88996492
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(OC[C@@H]2CO2)cc1
InChIInChI=1S/C18H20O3/c1-18(2,13-3-7-15(19)8-4-13)14-5-9-16(10-6-14)20-11-17-12-21-17/h3-10,17,19H,11-12H2,1-2H3/t17-/m1/s1
InChIKeyDGUJJOYLOCXENZ-QGZVFWFLSA-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

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-(oxiran-2-ylmethoxymethyl)oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 18780787
methane;4-(oxiran-2-ylmethoxy)phenol
CID 159818409
4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenol;2-methyloxirane;4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenol;propane
CID 142097785
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 159105635
1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 20685097
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;methane
CID 158673985
2-[[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 59488995
4-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]phenol;1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]butan-2-ol
CID 158947907
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;methanamine
CID 91550774
4-[2-[4-[4-ethyl-2-hydroxy-4-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]hexoxy]phenyl]propan-2-yl]phenol
CID 123286390
2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 59027775

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol?
The IUPAC name of 4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol (CID 88996492) is 4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol.
What is the SMILES notation for 4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol?
The canonical SMILES for 4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(OC[C@@H]2CO2)cc1.
What is the InChIKey of 4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol?
The InChIKey is DGUJJOYLOCXENZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20O3/c1-18(2,13-3-7-15(19)8-4-13)14-5-9-16(10-6-14)20-11-17-12-21-17/h3-10,17,19H,11-12H2,1-2H3/t17-/m1/s1.
What are the key properties of 4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol?
4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]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 4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol is sourced from PubChem (CID 88996492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).