1-ethoxy-3-(2-ethoxyethyl)benzene

C12H18O2 — CID 11644076

IUPAC1-ethoxy-3-(2-ethoxyethyl)benzene
SMILESCCOCCc1cccc(OCC)c1
InChIInChI=1S/C12H18O2/c1-3-13-9-8-11-6-5-7-12(10-11)14-4-2/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyIEPDJHFNLVZGGV-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.66
Rot. Bonds6

About 1-ethoxy-3-(2-ethoxyethyl)benzene

1-ethoxy-3-(2-ethoxyethyl)benzene (PubChem CID 11644076) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-ethoxy-3-(2-ethoxyethyl)benzene.

Molecular Properties

Compound Name1-ethoxy-3-(2-ethoxyethyl)benzene
PubChem CID11644076
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-ethoxy-3-(2-ethoxyethyl)benzene
SMILESCCOCCc1cccc(OCC)c1
InChIInChI=1S/C12H18O2/c1-3-13-9-8-11-6-5-7-12(10-11)14-4-2/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyIEPDJHFNLVZGGV-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyethoxy)-3-ethylbenzene
CID 60642871
1-(3-ethoxypropoxy)-3-ethylbenzene
CID 65178127
(2S)-4-(3-ethoxyphenyl)butan-2-amine
CID 94920485
1-but-3-ynyl-3-ethoxybenzene
CID 164663959
(3-ethoxyphenyl)methanethiol
CID 79885244
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865322
(2R)-4-(3-ethoxyphenyl)butan-2-ol
CID 94920388
3-(2-ethoxyethyl)-N,N-dimethylaniline
CID 142585590
N-ethoxy-1-(3-ethoxyphenyl)methanamine
CID 82709882
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
(3-ethoxyphenyl)methyl-trimethylazanium
CID 23274216

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(2-ethoxyethyl)benzene?
The IUPAC name of 1-ethoxy-3-(2-ethoxyethyl)benzene (CID 11644076) is 1-ethoxy-3-(2-ethoxyethyl)benzene.
What is the SMILES notation for 1-ethoxy-3-(2-ethoxyethyl)benzene?
The canonical SMILES for 1-ethoxy-3-(2-ethoxyethyl)benzene is CCOCCc1cccc(OCC)c1.
What is the InChIKey of 1-ethoxy-3-(2-ethoxyethyl)benzene?
The InChIKey is IEPDJHFNLVZGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-13-9-8-11-6-5-7-12(10-11)14-4-2/h5-7,10H,3-4,8-9H2,1-2H3.
What are the key properties of 1-ethoxy-3-(2-ethoxyethyl)benzene?
1-ethoxy-3-(2-ethoxyethyl)benzene has a molecular weight of 194.27 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(2-ethoxyethyl)benzene is sourced from PubChem (CID 11644076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).