[3-(oxiren-2-ylmethoxy)phenyl]methanol

C10H10O3 — CID 163982140

IUPAC[3-(oxiren-2-ylmethoxy)phenyl]methanol
SMILESOCc1cccc(OCC2=CO2)c1
InChIInChI=1S/C10H10O3/c11-5-8-2-1-3-9(4-8)12-6-10-7-13-10/h1-4,7,11H,5-6H2
InChIKeySZIHVXTYWDBVRG-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.43
Rot. Bonds4

About [3-(oxiren-2-ylmethoxy)phenyl]methanol

[3-(oxiren-2-ylmethoxy)phenyl]methanol (PubChem CID 163982140) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is [3-(oxiren-2-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-(oxiren-2-ylmethoxy)phenyl]methanol
PubChem CID163982140
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name[3-(oxiren-2-ylmethoxy)phenyl]methanol
SMILESOCc1cccc(OCC2=CO2)c1
InChIInChI=1S/C10H10O3/c11-5-8-2-1-3-9(4-8)12-6-10-7-13-10/h1-4,7,11H,5-6H2
InChIKeySZIHVXTYWDBVRG-UHFFFAOYSA-N
XLogP1.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[3-[(3-chlorophenyl)methoxy]phenyl]methanol
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[3-(fluoromethoxy)phenyl]methanol
CID 130445893
[3-(naphthalen-2-ylmethoxy)phenyl]methanol
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[3-[(5-methylfuran-2-yl)methoxy]phenyl]methanol
CID 79868965
[3-(3-chloropropoxy)phenyl]methanol
CID 15724711
[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 28782947
2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid
CID 115460733
3-[[3-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 28561914
5-[[3-(hydroxymethyl)phenoxy]methyl]thiophene-2-carboxylic acid
CID 55183087
(3-prop-2-ynoxyphenyl)methanol
CID 10797067
[3-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]methanol
CID 111770249

Frequently Asked Questions

What is the IUPAC name of [3-(oxiren-2-ylmethoxy)phenyl]methanol?
The IUPAC name of [3-(oxiren-2-ylmethoxy)phenyl]methanol (CID 163982140) is [3-(oxiren-2-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [3-(oxiren-2-ylmethoxy)phenyl]methanol?
The canonical SMILES for [3-(oxiren-2-ylmethoxy)phenyl]methanol is OCc1cccc(OCC2=CO2)c1.
What is the InChIKey of [3-(oxiren-2-ylmethoxy)phenyl]methanol?
The InChIKey is SZIHVXTYWDBVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-5-8-2-1-3-9(4-8)12-6-10-7-13-10/h1-4,7,11H,5-6H2.
What are the key properties of [3-(oxiren-2-ylmethoxy)phenyl]methanol?
[3-(oxiren-2-ylmethoxy)phenyl]methanol has a molecular weight of 178.19 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxiren-2-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 163982140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).