1,2-dimethoxy-4-(1-phenylmethoxyprop-2-enylperoxymethyl)benzene

C19H22O5 — CID 102280841

IUPAC1,2-dimethoxy-4-(1-phenylmethoxyprop-2-enylperoxymethyl)benzene
SMILESC=CC(OCc1ccccc1)OOCc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H22O5/c1-4-19(22-13-15-8-6-5-7-9-15)24-23-14-16-10-11-17(20-2)18(12-16)21-3/h4-12,19H,1,13-14H2,2-3H3
InChIKeyXTECWVZRKOXARO-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.88
Rot. Bonds10

About 1,2-dimethoxy-4-(1-phenylmethoxyprop-2-enylperoxymethyl)benzene

1,2-dimethoxy-4-(1-phenylmethoxyprop-2-enylperoxymethyl)benzene (PubChem CID 102280841) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1,2-dimethoxy-4-(1-phenylmethoxyprop-2-enylperoxymethyl)benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-(1-phenylmethoxyprop-2-enylperoxymethyl)benzene
PubChem CID102280841
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name1,2-dimethoxy-4-(1-phenylmethoxyprop-2-enylperoxymethyl)benzene
SMILESC=CC(OCc1ccccc1)OOCc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H22O5/c1-4-19(22-13-15-8-6-5-7-9-15)24-23-14-16-10-11-17(20-2)18(12-16)21-3/h4-12,19H,1,13-14H2,2-3H3
InChIKeyXTECWVZRKOXARO-UHFFFAOYSA-N
XLogP3.88
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]-1,2-dimethoxybenzene
CID 25215400
[(1R)-1-methoxyprop-2-enoxy]methylbenzene
CID 126647784
3-(3,4-dimethoxyphenyl)-2-phenylmethoxypropanenitrile
CID 42627879
1,2-dimethoxy-4-[(2R)-2-(2-phenylethyl)but-3-enyl]benzene
CID 134844752
4-(ethenoxymethyl)-1,2-dimethoxybenzene
CID 86205120
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
3-(3,4-dimethoxyphenyl)-3-phenylmethoxypropanal
CID 102493094
(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171232603
1-chloroprop-2-enoxymethylbenzene
CID 175273540
(5S)-5-[(4-methoxyphenyl)methoxy]-7-(3-methoxy-4-phenylmethoxyphenyl)hept-1-en-3-one
CID 56958789
penta-1,4-dien-3-yloxymethylbenzene
CID 102250646
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-(1-phenylmethoxyprop-2-enylperoxymethyl)benzene?
The IUPAC name of 1,2-dimethoxy-4-(1-phenylmethoxyprop-2-enylperoxymethyl)benzene (CID 102280841) is 1,2-dimethoxy-4-(1-phenylmethoxyprop-2-enylperoxymethyl)benzene.
What is the SMILES notation for 1,2-dimethoxy-4-(1-phenylmethoxyprop-2-enylperoxymethyl)benzene?
The canonical SMILES for 1,2-dimethoxy-4-(1-phenylmethoxyprop-2-enylperoxymethyl)benzene is C=CC(OCc1ccccc1)OOCc1ccc(OC)c(OC)c1.
What is the InChIKey of 1,2-dimethoxy-4-(1-phenylmethoxyprop-2-enylperoxymethyl)benzene?
The InChIKey is XTECWVZRKOXARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-4-19(22-13-15-8-6-5-7-9-15)24-23-14-16-10-11-17(20-2)18(12-16)21-3/h4-12,19H,1,13-14H2,2-3H3.
What are the key properties of 1,2-dimethoxy-4-(1-phenylmethoxyprop-2-enylperoxymethyl)benzene?
1,2-dimethoxy-4-(1-phenylmethoxyprop-2-enylperoxymethyl)benzene has a molecular weight of 330.38 g/mol, XLogP of 3.88, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-(1-phenylmethoxyprop-2-enylperoxymethyl)benzene is sourced from PubChem (CID 102280841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).