[4-[(2-methyloxiran-2-yl)methoxy]phenyl]methanol

C11H14O3 — CID 66334764

IUPAC[4-[(2-methyloxiran-2-yl)methoxy]phenyl]methanol
SMILESCC1(COc2ccc(CO)cc2)CO1
InChIInChI=1S/C11H14O3/c1-11(8-14-11)7-13-10-4-2-9(6-12)3-5-10/h2-5,12H,6-8H2,1H3
InChIKeyYZMYWPVXOKFLRP-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.35
Rot. Bonds4

About [4-[(2-methyloxiran-2-yl)methoxy]phenyl]methanol

[4-[(2-methyloxiran-2-yl)methoxy]phenyl]methanol (PubChem CID 66334764) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is [4-[(2-methyloxiran-2-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2-methyloxiran-2-yl)methoxy]phenyl]methanol
PubChem CID66334764
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name[4-[(2-methyloxiran-2-yl)methoxy]phenyl]methanol
SMILESCC1(COc2ccc(CO)cc2)CO1
InChIInChI=1S/C11H14O3/c1-11(8-14-11)7-13-10-4-2-9(6-12)3-5-10/h2-5,12H,6-8H2,1H3
InChIKeyYZMYWPVXOKFLRP-UHFFFAOYSA-N
XLogP1.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.35
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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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methyloxiran-2-yl)methoxy]phenyl]methanol?
The IUPAC name of [4-[(2-methyloxiran-2-yl)methoxy]phenyl]methanol (CID 66334764) is [4-[(2-methyloxiran-2-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [4-[(2-methyloxiran-2-yl)methoxy]phenyl]methanol?
The canonical SMILES for [4-[(2-methyloxiran-2-yl)methoxy]phenyl]methanol is CC1(COc2ccc(CO)cc2)CO1.
What is the InChIKey of [4-[(2-methyloxiran-2-yl)methoxy]phenyl]methanol?
The InChIKey is YZMYWPVXOKFLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-11(8-14-11)7-13-10-4-2-9(6-12)3-5-10/h2-5,12H,6-8H2,1H3.
What are the key properties of [4-[(2-methyloxiran-2-yl)methoxy]phenyl]methanol?
[4-[(2-methyloxiran-2-yl)methoxy]phenyl]methanol has a molecular weight of 194.23 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methyloxiran-2-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 66334764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).