1,2,3-trimethoxy-5-[2-[4-methoxy-2,3-bis(methoxymethoxy)phenyl]ethyl]benzene

C22H30O8 — CID 11373561

IUPAC1,2,3-trimethoxy-5-[2-[4-methoxy-2,3-bis(methoxymethoxy)phenyl]ethyl]benzene
SMILESCOCOc1c(CCc2cc(OC)c(OC)c(OC)c2)ccc(OC)c1OCOC
InChIInChI=1S/C22H30O8/c1-23-13-29-20-16(9-10-17(25-3)22(20)30-14-24-2)8-7-15-11-18(26-4)21(28-6)19(12-15)27-5/h9-12H,7-8,13-14H2,1-6H3
InChIKeyDYZUNHDHGKCTMR-UHFFFAOYSA-N
MW422.47 g/mol
LogP3.47
Rot. Bonds13

About 1,2,3-trimethoxy-5-[2-[4-methoxy-2,3-bis(methoxymethoxy)phenyl]ethyl]benzene

1,2,3-trimethoxy-5-[2-[4-methoxy-2,3-bis(methoxymethoxy)phenyl]ethyl]benzene (PubChem CID 11373561) has the molecular formula C22H30O8 and a molecular weight of 422.47 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[2-[4-methoxy-2,3-bis(methoxymethoxy)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[2-[4-methoxy-2,3-bis(methoxymethoxy)phenyl]ethyl]benzene
PubChem CID11373561
Molecular FormulaC22H30O8
Molecular Weight422.47 g/mol
Exact Mass422.19
IUPAC Name1,2,3-trimethoxy-5-[2-[4-methoxy-2,3-bis(methoxymethoxy)phenyl]ethyl]benzene
SMILESCOCOc1c(CCc2cc(OC)c(OC)c(OC)c2)ccc(OC)c1OCOC
InChIInChI=1S/C22H30O8/c1-23-13-29-20-16(9-10-17(25-3)22(20)30-14-24-2)8-7-15-11-18(26-4)21(28-6)19(12-15)27-5/h9-12H,7-8,13-14H2,1-6H3
InChIKeyDYZUNHDHGKCTMR-UHFFFAOYSA-N
XLogP3.47
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1,3,4-trimethoxy-2,5-bis(methoxymethoxy)benzene
CID 56613855
2-amino-6-methoxy-3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
CID 118422161
[3,4-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]methanol
CID 23044013
4-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,3-diol
CID 146465805
1-[2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene
CID 172870474
5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene
CID 65364393
1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone
CID 135057699
3-chloro-1,4-dimethoxy-2,5-bis(methoxymethoxy)benzene
CID 56613923
2-(3,4,5-trimethoxyphenyl)ethylsilane
CID 175460216
2-(3,4,5-trimethoxyphenyl)ethylazanium
CID 6918993
5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870541
5-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]pentanoic acid
CID 19816113

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[2-[4-methoxy-2,3-bis(methoxymethoxy)phenyl]ethyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[2-[4-methoxy-2,3-bis(methoxymethoxy)phenyl]ethyl]benzene (CID 11373561) is 1,2,3-trimethoxy-5-[2-[4-methoxy-2,3-bis(methoxymethoxy)phenyl]ethyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[2-[4-methoxy-2,3-bis(methoxymethoxy)phenyl]ethyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[2-[4-methoxy-2,3-bis(methoxymethoxy)phenyl]ethyl]benzene is COCOc1c(CCc2cc(OC)c(OC)c(OC)c2)ccc(OC)c1OCOC.
What is the InChIKey of 1,2,3-trimethoxy-5-[2-[4-methoxy-2,3-bis(methoxymethoxy)phenyl]ethyl]benzene?
The InChIKey is DYZUNHDHGKCTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O8/c1-23-13-29-20-16(9-10-17(25-3)22(20)30-14-24-2)8-7-15-11-18(26-4)21(28-6)19(12-15)27-5/h9-12H,7-8,13-14H2,1-6H3.
What are the key properties of 1,2,3-trimethoxy-5-[2-[4-methoxy-2,3-bis(methoxymethoxy)phenyl]ethyl]benzene?
1,2,3-trimethoxy-5-[2-[4-methoxy-2,3-bis(methoxymethoxy)phenyl]ethyl]benzene has a molecular weight of 422.47 g/mol, XLogP of 3.47, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[2-[4-methoxy-2,3-bis(methoxymethoxy)phenyl]ethyl]benzene is sourced from PubChem (CID 11373561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).