3-[(3-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxine

C16H16O3 — CID 46849851

IUPAC3-[(3-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxine
SMILESCc1cccc(OCC2COc3ccccc3O2)c1
InChIInChI=1S/C16H16O3/c1-12-5-4-6-13(9-12)17-10-14-11-18-15-7-2-3-8-16(15)19-14/h2-9,14H,10-11H2,1H3
InChIKeyJKRSLRXOINRBOZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.21
Rot. Bonds3

About 3-[(3-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxine

3-[(3-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 46849851) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-[(3-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name3-[(3-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxine
PubChem CID46849851
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-[(3-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxine
SMILESCc1cccc(OCC2COc3ccccc3O2)c1
InChIInChI=1S/C16H16O3/c1-12-5-4-6-13(9-12)17-10-14-11-18-15-7-2-3-8-16(15)19-14/h2-9,14H,10-11H2,1H3
InChIKeyJKRSLRXOINRBOZ-UHFFFAOYSA-N
XLogP3.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Benzyloxy)-2-methoxy-4-(prop-1-en-1-yl)benzene
CID 764139
1,1'-(Ethane-1,2-diylbis(oxy))bis(3-methylbenzene)
CID 97354
Benzyl isoeugenol
CID 61046
Isoamericanol A
CID 6444016
Benzene, 1-ethoxy-2-methoxy-4-(1-propen-1-yl)-
CID 285286
Benzene, 2-methoxy-1-(phenylmethoxy)-4-(2-propen-1-yl)-
CID 93649
Isoeugenol benzyl ether
CID 1550886
Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin, 2,13(or 2,14)-bis(1,1-dimethylethyl)-6,7,9,10,17,18,20,21-octahydro-
CID 169043
((m-Tolyloxy)methyl)oxirane
CID 98180
O-geranylconiferyl alcohol
CID 6439279
Americanol
CID 637304
1-Ethoxy-2-methoxy-4-(1E)-1-propen-1-ylbenzene
CID 5382490

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 3-[(3-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxine (CID 46849851) is 3-[(3-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 3-[(3-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 3-[(3-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxine is Cc1cccc(OCC2COc3ccccc3O2)c1.
What is the InChIKey of 3-[(3-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is JKRSLRXOINRBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-12-5-4-6-13(9-12)17-10-14-11-18-15-7-2-3-8-16(15)19-14/h2-9,14H,10-11H2,1H3.
What are the key properties of 3-[(3-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxine?
3-[(3-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 256.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 46849851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).