1,2,3-triethoxy-5-ethylbenzene

C14H22O3 — CID 91457664

IUPAC1,2,3-triethoxy-5-ethylbenzene
SMILESCCOc1cc(CC)cc(OCC)c1OCC
InChIInChI=1S/C14H22O3/c1-5-11-9-12(15-6-2)14(17-8-4)13(10-11)16-7-3/h9-10H,5-8H2,1-4H3
InChIKeyYEMFWXRANDNRRP-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.45
Rot. Bonds7

About 1,2,3-triethoxy-5-ethylbenzene

1,2,3-triethoxy-5-ethylbenzene (PubChem CID 91457664) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1,2,3-triethoxy-5-ethylbenzene.

Molecular Properties

Compound Name1,2,3-triethoxy-5-ethylbenzene
PubChem CID91457664
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1,2,3-triethoxy-5-ethylbenzene
SMILESCCOc1cc(CC)cc(OCC)c1OCC
InChIInChI=1S/C14H22O3/c1-5-11-9-12(15-6-2)14(17-8-4)13(10-11)16-7-3/h9-10H,5-8H2,1-4H3
InChIKeyYEMFWXRANDNRRP-UHFFFAOYSA-N
XLogP3.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-2-N-[(3,4,5-triethoxyphenyl)methyl]propane-1,2-diamine
CID 104868075
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline
CID 126127441
(2-amino-2-oxoethyl) 3,4,5-triethoxybenzoate
CID 2363630
2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol
CID 115823357
2-ethoxy-4-ethyl-1-propylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1,2,3-triethoxy-5-ethylbenzene?
The IUPAC name of 1,2,3-triethoxy-5-ethylbenzene (CID 91457664) is 1,2,3-triethoxy-5-ethylbenzene.
What is the SMILES notation for 1,2,3-triethoxy-5-ethylbenzene?
The canonical SMILES for 1,2,3-triethoxy-5-ethylbenzene is CCOc1cc(CC)cc(OCC)c1OCC.
What is the InChIKey of 1,2,3-triethoxy-5-ethylbenzene?
The InChIKey is YEMFWXRANDNRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-11-9-12(15-6-2)14(17-8-4)13(10-11)16-7-3/h9-10H,5-8H2,1-4H3.
What are the key properties of 1,2,3-triethoxy-5-ethylbenzene?
1,2,3-triethoxy-5-ethylbenzene has a molecular weight of 238.33 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triethoxy-5-ethylbenzene is sourced from PubChem (CID 91457664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).