4-[(3-methyloxiran-2-yl)methoxy]benzaldehyde

C11H12O3 — CID 102230361

IUPAC4-[(3-methyloxiran-2-yl)methoxy]benzaldehyde
SMILESCC1OC1COc1ccc(C=O)cc1
InChIInChI=1S/C11H12O3/c1-8-11(14-8)7-13-10-4-2-9(6-12)3-5-10/h2-6,8,11H,7H2,1H3
InChIKeyCFXNGRBLVHOSPC-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.67
Rot. Bonds4

About 4-[(3-methyloxiran-2-yl)methoxy]benzaldehyde

4-[(3-methyloxiran-2-yl)methoxy]benzaldehyde (PubChem CID 102230361) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-[(3-methyloxiran-2-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[(3-methyloxiran-2-yl)methoxy]benzaldehyde
PubChem CID102230361
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name4-[(3-methyloxiran-2-yl)methoxy]benzaldehyde
SMILESCC1OC1COc1ccc(C=O)cc1
InChIInChI=1S/C11H12O3/c1-8-11(14-8)7-13-10-4-2-9(6-12)3-5-10/h2-6,8,11H,7H2,1H3
InChIKeyCFXNGRBLVHOSPC-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
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

ethane;2-methyl-3-[[3-[(3-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane;2-methyl-3-[[4-[[4-[(3-methyloxiran-2-yl)methoxy]phenyl]methyl]phenoxy]methyl]oxirane
CID 159836491
2-methyl-3-[[4-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]phenoxy]methyl]oxirane
CID 90374577
4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde
CID 131887316
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
(4-formylphenoxy)methyl-trimethylazanium
CID 102084836
4-(piperidin-4-ylmethoxy)benzaldehyde
CID 154636749
1-(4-chlorophenyl)-4-[4-[(3-methyloxiran-2-yl)methoxy]phenyl]piperazine
CID 174594171
ethane;4-(2-methylpropoxy)benzaldehyde
CID 143325995
4-[3-(3,5-dimethylphenoxy)propoxy]benzaldehyde
CID 2219741
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-formylphenoxy)oxan-2-yl]methyl acetate
CID 10366586
4-[(2-oxopiperidin-4-yl)methoxy]benzaldehyde
CID 117052632

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyloxiran-2-yl)methoxy]benzaldehyde?
The IUPAC name of 4-[(3-methyloxiran-2-yl)methoxy]benzaldehyde (CID 102230361) is 4-[(3-methyloxiran-2-yl)methoxy]benzaldehyde.
What is the SMILES notation for 4-[(3-methyloxiran-2-yl)methoxy]benzaldehyde?
The canonical SMILES for 4-[(3-methyloxiran-2-yl)methoxy]benzaldehyde is CC1OC1COc1ccc(C=O)cc1.
What is the InChIKey of 4-[(3-methyloxiran-2-yl)methoxy]benzaldehyde?
The InChIKey is CFXNGRBLVHOSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-8-11(14-8)7-13-10-4-2-9(6-12)3-5-10/h2-6,8,11H,7H2,1H3.
What are the key properties of 4-[(3-methyloxiran-2-yl)methoxy]benzaldehyde?
4-[(3-methyloxiran-2-yl)methoxy]benzaldehyde has a molecular weight of 192.21 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyloxiran-2-yl)methoxy]benzaldehyde is sourced from PubChem (CID 102230361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).