2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde

C11H12O3 — CID 91239700

IUPAC2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde
SMILESCc1c(C=O)cccc1OCC1CO1
InChIInChI=1S/C11H12O3/c1-8-9(5-12)3-2-4-11(8)14-7-10-6-13-10/h2-5,10H,6-7H2,1H3
InChIKeyWDFVGTPQUBLPIT-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.59
Rot. Bonds4

About 2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde

2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde (PubChem CID 91239700) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde
PubChem CID91239700
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde
SMILESCc1c(C=O)cccc1OCC1CO1
InChIInChI=1S/C11H12O3/c1-8-9(5-12)3-2-4-11(8)14-7-10-6-13-10/h2-5,10H,6-7H2,1H3
InChIKeyWDFVGTPQUBLPIT-UHFFFAOYSA-N
XLogP1.59
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxy-3-prop-1-enylphenoxy)methyl]oxirane
CID 56607199
4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde
CID 22999320
[2-[[(2R)-oxiran-2-yl]methoxy]phenyl] formate
CID 165349007
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
4-chloro-2-(oxiran-2-ylmethoxy)benzaldehyde
CID 175222073
5-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde
CID 10703784
[3-methyl-2-(oxiran-2-ylmethoxy)phenyl] acetate
CID 131876567
(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane
CID 7127515
5-(4-fluorophenoxy)-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde
CID 10108143
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196
3,4-bis(oxiran-2-ylmethoxy)benzaldehyde
CID 175734853

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde?
The IUPAC name of 2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde (CID 91239700) is 2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde.
What is the SMILES notation for 2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde?
The canonical SMILES for 2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde is Cc1c(C=O)cccc1OCC1CO1.
What is the InChIKey of 2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde?
The InChIKey is WDFVGTPQUBLPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-8-9(5-12)3-2-4-11(8)14-7-10-6-13-10/h2-5,10H,6-7H2,1H3.
What are the key properties of 2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde?
2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde has a molecular weight of 192.21 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde is sourced from PubChem (CID 91239700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).