1,3-bis[(3,5-dimethoxyphenyl)methoxy]-5-(prop-2-ynoxymethyl)benzene

C28H30O7 — CID 101386710

IUPAC1,3-bis[(3,5-dimethoxyphenyl)methoxy]-5-(prop-2-ynoxymethyl)benzene
SMILESC#CCOCc1cc(OCc2cc(OC)cc(OC)c2)cc(OCc2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C28H30O7/c1-6-7-33-17-20-12-27(34-18-21-8-23(29-2)14-24(9-21)30-3)16-28(13-20)35-19-22-10-25(31-4)15-26(11-22)32-5/h1,8-16H,7,17-19H2,2-5H3
InChIKeyCCXZFTZHIZEYLL-UHFFFAOYSA-N
MW478.54 g/mol
LogP5.03
Rot. Bonds13

About 1,3-bis[(3,5-dimethoxyphenyl)methoxy]-5-(prop-2-ynoxymethyl)benzene

1,3-bis[(3,5-dimethoxyphenyl)methoxy]-5-(prop-2-ynoxymethyl)benzene (PubChem CID 101386710) has the molecular formula C28H30O7 and a molecular weight of 478.54 g/mol. Its IUPAC name is 1,3-bis[(3,5-dimethoxyphenyl)methoxy]-5-(prop-2-ynoxymethyl)benzene.

Molecular Properties

Compound Name1,3-bis[(3,5-dimethoxyphenyl)methoxy]-5-(prop-2-ynoxymethyl)benzene
PubChem CID101386710
Molecular FormulaC28H30O7
Molecular Weight478.54 g/mol
Exact Mass478.20
IUPAC Name1,3-bis[(3,5-dimethoxyphenyl)methoxy]-5-(prop-2-ynoxymethyl)benzene
SMILESC#CCOCc1cc(OCc2cc(OC)cc(OC)c2)cc(OCc2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C28H30O7/c1-6-7-33-17-20-12-27(34-18-21-8-23(29-2)14-24(9-21)30-3)16-28(13-20)35-19-22-10-25(31-4)15-26(11-22)32-5/h1,8-16H,7,17-19H2,2-5H3
InChIKeyCCXZFTZHIZEYLL-UHFFFAOYSA-N
XLogP5.03
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.54
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1,3-bis[(3,5-dimethoxyphenyl)methoxy]-5-(prop-2-ynoxymethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenol
CID 54586280
[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol
CID 101100720
[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methyl selenocyanate
CID 15891041
1-[[4-[2-[4-[[3,5-bis(prop-2-ynoxy)phenyl]methoxy]phenyl]propan-2-yl]phenoxy]methyl]-3,5-bis(prop-2-ynoxy)benzene
CID 102300951
1,4,7-tris[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methyl]-1,4,7-triazonane
CID 100958899
1,3-bis(bromomethyl)-5-(prop-2-ynoxymethyl)benzene
CID 162774528
[3,5-bis(prop-2-ynoxy)phenyl]methyl acetate
CID 59806471
1-[(4-iodophenyl)methoxy]-3,5-dimethoxybenzene
CID 65490326
4-[(3,5-dimethoxyphenoxy)methyl]aniline
CID 43589819
3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol
CID 70951574
4-[(3,5-dimethoxyphenoxy)methyl]benzonitrile
CID 7707174
1-(hydroperoxymethyl)-3,5-dimethoxybenzene
CID 89188233

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(3,5-dimethoxyphenyl)methoxy]-5-(prop-2-ynoxymethyl)benzene?
The IUPAC name of 1,3-bis[(3,5-dimethoxyphenyl)methoxy]-5-(prop-2-ynoxymethyl)benzene (CID 101386710) is 1,3-bis[(3,5-dimethoxyphenyl)methoxy]-5-(prop-2-ynoxymethyl)benzene.
What is the SMILES notation for 1,3-bis[(3,5-dimethoxyphenyl)methoxy]-5-(prop-2-ynoxymethyl)benzene?
The canonical SMILES for 1,3-bis[(3,5-dimethoxyphenyl)methoxy]-5-(prop-2-ynoxymethyl)benzene is C#CCOCc1cc(OCc2cc(OC)cc(OC)c2)cc(OCc2cc(OC)cc(OC)c2)c1.
What is the InChIKey of 1,3-bis[(3,5-dimethoxyphenyl)methoxy]-5-(prop-2-ynoxymethyl)benzene?
The InChIKey is CCXZFTZHIZEYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30O7/c1-6-7-33-17-20-12-27(34-18-21-8-23(29-2)14-24(9-21)30-3)16-28(13-20)35-19-22-10-25(31-4)15-26(11-22)32-5/h1,8-16H,7,17-19H2,2-5H3.
What are the key properties of 1,3-bis[(3,5-dimethoxyphenyl)methoxy]-5-(prop-2-ynoxymethyl)benzene?
1,3-bis[(3,5-dimethoxyphenyl)methoxy]-5-(prop-2-ynoxymethyl)benzene has a molecular weight of 478.54 g/mol, XLogP of 5.03, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(3,5-dimethoxyphenyl)methoxy]-5-(prop-2-ynoxymethyl)benzene is sourced from PubChem (CID 101386710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).