2-[1-[2-(2-hydroxyphenyl)-3-methyloxiran-2-yl]ethyl]phenol

C17H18O3 — CID 87650282

IUPAC2-[1-[2-(2-hydroxyphenyl)-3-methyloxiran-2-yl]ethyl]phenol
SMILESCC1OC1(c1ccccc1O)C(C)c1ccccc1O
InChIInChI=1S/C17H18O3/c1-11(13-7-3-5-9-15(13)18)17(12(2)20-17)14-8-4-6-10-16(14)19/h3-12,18-19H,1-2H3
InChIKeyGCRMLFCWZCXCDU-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.52
Rot. Bonds3

About 2-[1-[2-(2-hydroxyphenyl)-3-methyloxiran-2-yl]ethyl]phenol

2-[1-[2-(2-hydroxyphenyl)-3-methyloxiran-2-yl]ethyl]phenol (PubChem CID 87650282) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-[2-(2-hydroxyphenyl)-3-methyloxiran-2-yl]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[2-(2-hydroxyphenyl)-3-methyloxiran-2-yl]ethyl]phenol
PubChem CID87650282
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-[1-[2-(2-hydroxyphenyl)-3-methyloxiran-2-yl]ethyl]phenol
SMILESCC1OC1(c1ccccc1O)C(C)c1ccccc1O
InChIInChI=1S/C17H18O3/c1-11(13-7-3-5-9-15(13)18)17(12(2)20-17)14-8-4-6-10-16(14)19/h3-12,18-19H,1-2H3
InChIKeyGCRMLFCWZCXCDU-UHFFFAOYSA-N
XLogP3.52
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-hydroxyphenyl)-3-methyloxiran-2-yl]ethyl]phenol?
The IUPAC name of 2-[1-[2-(2-hydroxyphenyl)-3-methyloxiran-2-yl]ethyl]phenol (CID 87650282) is 2-[1-[2-(2-hydroxyphenyl)-3-methyloxiran-2-yl]ethyl]phenol.
What is the SMILES notation for 2-[1-[2-(2-hydroxyphenyl)-3-methyloxiran-2-yl]ethyl]phenol?
The canonical SMILES for 2-[1-[2-(2-hydroxyphenyl)-3-methyloxiran-2-yl]ethyl]phenol is CC1OC1(c1ccccc1O)C(C)c1ccccc1O.
What is the InChIKey of 2-[1-[2-(2-hydroxyphenyl)-3-methyloxiran-2-yl]ethyl]phenol?
The InChIKey is GCRMLFCWZCXCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-11(13-7-3-5-9-15(13)18)17(12(2)20-17)14-8-4-6-10-16(14)19/h3-12,18-19H,1-2H3.
What are the key properties of 2-[1-[2-(2-hydroxyphenyl)-3-methyloxiran-2-yl]ethyl]phenol?
2-[1-[2-(2-hydroxyphenyl)-3-methyloxiran-2-yl]ethyl]phenol has a molecular weight of 270.33 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-hydroxyphenyl)-3-methyloxiran-2-yl]ethyl]phenol is sourced from PubChem (CID 87650282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).