1,2,4-trimethoxy-5-(1-methoxyethyl)benzene

C12H18O4 — CID 91567159

IUPAC1,2,4-trimethoxy-5-(1-methoxyethyl)benzene
SMILESCOc1cc(OC)c(C(C)OC)cc1OC
InChIInChI=1S/C12H18O4/c1-8(13-2)9-6-11(15-4)12(16-5)7-10(9)14-3/h6-8H,1-5H3
InChIKeyDMXNDXQJVRPBGK-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.42
Rot. Bonds5

About 1,2,4-trimethoxy-5-(1-methoxyethyl)benzene

1,2,4-trimethoxy-5-(1-methoxyethyl)benzene (PubChem CID 91567159) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1,2,4-trimethoxy-5-(1-methoxyethyl)benzene.

Molecular Properties

Compound Name1,2,4-trimethoxy-5-(1-methoxyethyl)benzene
PubChem CID91567159
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name1,2,4-trimethoxy-5-(1-methoxyethyl)benzene
SMILESCOc1cc(OC)c(C(C)OC)cc1OC
InChIInChI=1S/C12H18O4/c1-8(13-2)9-6-11(15-4)12(16-5)7-10(9)14-3/h6-8H,1-5H3
InChIKeyDMXNDXQJVRPBGK-UHFFFAOYSA-N
XLogP2.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
2-methoxy-1-(2,4,5-trimethoxyphenyl)propan-1-ol
CID 162953882
1-methoxy-2-(1-methoxyethyl)-4-methylbenzene
CID 71396401
2-(2,4,5-trimethoxyphenyl)propanal
CID 46896304
2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 116769401
N-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 112514037
[4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane
CID 167009841
(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
(1R)-2,2-difluoro-1-(2,4,5-trimethoxyphenyl)ethanamine;hydrochloride
CID 171239375
(1R)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 171246095
7-methoxy-6-(1-methoxyethyl)-2,2-dimethylchromene
CID 14427467

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethoxy-5-(1-methoxyethyl)benzene?
The IUPAC name of 1,2,4-trimethoxy-5-(1-methoxyethyl)benzene (CID 91567159) is 1,2,4-trimethoxy-5-(1-methoxyethyl)benzene.
What is the SMILES notation for 1,2,4-trimethoxy-5-(1-methoxyethyl)benzene?
The canonical SMILES for 1,2,4-trimethoxy-5-(1-methoxyethyl)benzene is COc1cc(OC)c(C(C)OC)cc1OC.
What is the InChIKey of 1,2,4-trimethoxy-5-(1-methoxyethyl)benzene?
The InChIKey is DMXNDXQJVRPBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-8(13-2)9-6-11(15-4)12(16-5)7-10(9)14-3/h6-8H,1-5H3.
What are the key properties of 1,2,4-trimethoxy-5-(1-methoxyethyl)benzene?
1,2,4-trimethoxy-5-(1-methoxyethyl)benzene has a molecular weight of 226.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethoxy-5-(1-methoxyethyl)benzene is sourced from PubChem (CID 91567159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).