4-methoxy-2-phenyl-1,3-dioxole

C10H10O3 — CID 141045608

IUPAC4-methoxy-2-phenyl-1,3-dioxole
SMILESCOC1=COC(c2ccccc2)O1
InChIInChI=1S/C10H10O3/c1-11-9-7-12-10(13-9)8-5-3-2-4-6-8/h2-7,10H,1H3
InChIKeyFWBGVGNDZJWYBO-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.18
Rot. Bonds2

About 4-methoxy-2-phenyl-1,3-dioxole

4-methoxy-2-phenyl-1,3-dioxole (PubChem CID 141045608) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-methoxy-2-phenyl-1,3-dioxole.

Molecular Properties

Compound Name4-methoxy-2-phenyl-1,3-dioxole
PubChem CID141045608
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name4-methoxy-2-phenyl-1,3-dioxole
SMILESCOC1=COC(c2ccccc2)O1
InChIInChI=1S/C10H10O3/c1-11-9-7-12-10(13-9)8-5-3-2-4-6-8/h2-7,10H,1H3
InChIKeyFWBGVGNDZJWYBO-UHFFFAOYSA-N
XLogP2.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-phenyl-1,3-dioxole
CID 14792930
6-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-dioxepine
CID 139648138
(2R,3R)-2-methoxy-3-phenyl-2,3-dihydrofuran
CID 101238409
(4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane
CID 14265871
2-phenyl-4-propan-2-yl-1,3-dioxetane
CID 67555130
(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
CID 68508640
3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole
CID 590944
(3aR,4R,7R,7aR)-2-(4-methoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 129428100
5-phenyltetraoxolane
CID 102034769
methyl (2R,3S)-3-phenyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-5-carboxylate
CID 101123064
methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyran-5-carboxylate
CID 102466469
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-phenyl-1,3-dioxole?
The IUPAC name of 4-methoxy-2-phenyl-1,3-dioxole (CID 141045608) is 4-methoxy-2-phenyl-1,3-dioxole.
What is the SMILES notation for 4-methoxy-2-phenyl-1,3-dioxole?
The canonical SMILES for 4-methoxy-2-phenyl-1,3-dioxole is COC1=COC(c2ccccc2)O1.
What is the InChIKey of 4-methoxy-2-phenyl-1,3-dioxole?
The InChIKey is FWBGVGNDZJWYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-11-9-7-12-10(13-9)8-5-3-2-4-6-8/h2-7,10H,1H3.
What are the key properties of 4-methoxy-2-phenyl-1,3-dioxole?
4-methoxy-2-phenyl-1,3-dioxole has a molecular weight of 178.19 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-phenyl-1,3-dioxole is sourced from PubChem (CID 141045608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).