1,3-dichloro-2-ethyl-4,5,6-trimethoxybenzene

C11H14Cl2O3 — CID 134197646

IUPAC1,3-dichloro-2-ethyl-4,5,6-trimethoxybenzene
SMILESCCc1c(Cl)c(OC)c(OC)c(OC)c1Cl
InChIInChI=1S/C11H14Cl2O3/c1-5-6-7(12)9(14-2)11(16-4)10(15-3)8(6)13/h5H2,1-4H3
InChIKeyPQGWQXNWZRRWLS-UHFFFAOYSA-N
MW265.14 g/mol
LogP3.58
Rot. Bonds4

About 1,3-dichloro-2-ethyl-4,5,6-trimethoxybenzene

1,3-dichloro-2-ethyl-4,5,6-trimethoxybenzene (PubChem CID 134197646) has the molecular formula C11H14Cl2O3 and a molecular weight of 265.14 g/mol. Its IUPAC name is 1,3-dichloro-2-ethyl-4,5,6-trimethoxybenzene.

Molecular Properties

Compound Name1,3-dichloro-2-ethyl-4,5,6-trimethoxybenzene
PubChem CID134197646
Molecular FormulaC11H14Cl2O3
Molecular Weight265.14 g/mol
Exact Mass264.03
IUPAC Name1,3-dichloro-2-ethyl-4,5,6-trimethoxybenzene
SMILESCCc1c(Cl)c(OC)c(OC)c(OC)c1Cl
InChIInChI=1S/C11H14Cl2O3/c1-5-6-7(12)9(14-2)11(16-4)10(15-3)8(6)13/h5H2,1-4H3
InChIKeyPQGWQXNWZRRWLS-UHFFFAOYSA-N
XLogP3.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-ol
CID 101127363
2,6-dichloro-4-ethyl-3,5-dimethoxypyridine
CID 174951332
1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932279
2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol
CID 117363854
1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene
CID 173127385
2,5-dichloro-3-ethoxycarbonyl-4-ethyl-6-methoxybenzoic acid
CID 154490646
(3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride
CID 117498210
1,2,3,4,5-pentachloro-6-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 129318206
2-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)acetonitrile
CID 115110965
N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine
CID 115259388
tris(2,3,4,6-tetrachloro-5-ethylphenyl)borane
CID 87744128
1,2,4,5-tetrachloro-3-iodo-6-methoxybenzene
CID 86035414

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-ethyl-4,5,6-trimethoxybenzene?
The IUPAC name of 1,3-dichloro-2-ethyl-4,5,6-trimethoxybenzene (CID 134197646) is 1,3-dichloro-2-ethyl-4,5,6-trimethoxybenzene.
What is the SMILES notation for 1,3-dichloro-2-ethyl-4,5,6-trimethoxybenzene?
The canonical SMILES for 1,3-dichloro-2-ethyl-4,5,6-trimethoxybenzene is CCc1c(Cl)c(OC)c(OC)c(OC)c1Cl.
What is the InChIKey of 1,3-dichloro-2-ethyl-4,5,6-trimethoxybenzene?
The InChIKey is PQGWQXNWZRRWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O3/c1-5-6-7(12)9(14-2)11(16-4)10(15-3)8(6)13/h5H2,1-4H3.
What are the key properties of 1,3-dichloro-2-ethyl-4,5,6-trimethoxybenzene?
1,3-dichloro-2-ethyl-4,5,6-trimethoxybenzene has a molecular weight of 265.14 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-ethyl-4,5,6-trimethoxybenzene is sourced from PubChem (CID 134197646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).