1-[(3,5-dimethoxyphenyl)-methoxymethyl]-3,5-dimethoxybenzene

C18H22O5 — CID 126607837

IUPAC1-[(3,5-dimethoxyphenyl)-methoxymethyl]-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(C(OC)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C18H22O5/c1-19-14-6-12(7-15(10-14)20-2)18(23-5)13-8-16(21-3)11-17(9-13)22-4/h6-11,18H,1-5H3
InChIKeyDKKVJWABFPLBAR-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.46
Rot. Bonds7

About 1-[(3,5-dimethoxyphenyl)-methoxymethyl]-3,5-dimethoxybenzene

1-[(3,5-dimethoxyphenyl)-methoxymethyl]-3,5-dimethoxybenzene (PubChem CID 126607837) has the molecular formula C18H22O5 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)-methoxymethyl]-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)-methoxymethyl]-3,5-dimethoxybenzene
PubChem CID126607837
Molecular FormulaC18H22O5
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name1-[(3,5-dimethoxyphenyl)-methoxymethyl]-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(C(OC)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C18H22O5/c1-19-14-6-12(7-15(10-14)20-2)18(23-5)13-8-16(21-3)11-17(9-13)22-4/h6-11,18H,1-5H3
InChIKeyDKKVJWABFPLBAR-UHFFFAOYSA-N
XLogP3.46
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

phosphane;1,3,5-trimethoxybenzene
CID 175232895
(3,5-dimethoxyphenyl)phosphane
CID 23215298
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1-(3,5-dimethoxyphenyl)propan-1-ol
CID 42957590
[3-(dimethoxymethyl)-5-methoxyphenyl] formate
CID 22948034
1-(3,5-dimethoxyphenyl)-2-methoxyethanol
CID 79567115
(2S)-2-(3,5-dimethoxyphenyl)-2-hydroxyacetonitrile
CID 94842584
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233
1-(3,5-dimethoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312157
1-(3,5-dimethoxyphenyl)-2-methylprop-2-en-1-amine
CID 105005540
(1R)-1-(3-bromo-5-methoxyphenyl)ethanamine
CID 130632981
1-(3,5-dimethoxyphenyl)-3,3-dimethylbutane-1,2-diol
CID 103457152

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)-methoxymethyl]-3,5-dimethoxybenzene?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)-methoxymethyl]-3,5-dimethoxybenzene (CID 126607837) is 1-[(3,5-dimethoxyphenyl)-methoxymethyl]-3,5-dimethoxybenzene.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)-methoxymethyl]-3,5-dimethoxybenzene?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)-methoxymethyl]-3,5-dimethoxybenzene is COc1cc(OC)cc(C(OC)c2cc(OC)cc(OC)c2)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)-methoxymethyl]-3,5-dimethoxybenzene?
The InChIKey is DKKVJWABFPLBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O5/c1-19-14-6-12(7-15(10-14)20-2)18(23-5)13-8-16(21-3)11-17(9-13)22-4/h6-11,18H,1-5H3.
What are the key properties of 1-[(3,5-dimethoxyphenyl)-methoxymethyl]-3,5-dimethoxybenzene?
1-[(3,5-dimethoxyphenyl)-methoxymethyl]-3,5-dimethoxybenzene has a molecular weight of 318.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)-methoxymethyl]-3,5-dimethoxybenzene is sourced from PubChem (CID 126607837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).