2-ethoxyethanol;1-ethoxy-2-methoxyethane;1-ethyl-2-propylbenzene

C20H38O4 — CID 159560663

IUPAC2-ethoxyethanol;1-ethoxy-2-methoxyethane;1-ethyl-2-propylbenzene
SMILESCCCc1ccccc1CC.CCOCCO.CCOCCOC
InChIInChI=1S/C11H16.C5H12O2.C4H10O2/c1-3-7-11-9-6-5-8-10(11)4-2;1-3-7-5-4-6-2;1-2-6-4-3-5/h5-6,8-9H,3-4,7H2,1-2H3;3-5H2,1-2H3;5H,2-4H2,1H3
InChIKeyMGONPXWZKVYPDR-UHFFFAOYSA-N
MW342.52 g/mol
LogP3.89
Rot. Bonds10

About 2-ethoxyethanol;1-ethoxy-2-methoxyethane;1-ethyl-2-propylbenzene

2-ethoxyethanol;1-ethoxy-2-methoxyethane;1-ethyl-2-propylbenzene (PubChem CID 159560663) has the molecular formula C20H38O4 and a molecular weight of 342.52 g/mol. Its IUPAC name is 2-ethoxyethanol;1-ethoxy-2-methoxyethane;1-ethyl-2-propylbenzene.

Molecular Properties

Compound Name2-ethoxyethanol;1-ethoxy-2-methoxyethane;1-ethyl-2-propylbenzene
PubChem CID159560663
Molecular FormulaC20H38O4
Molecular Weight342.52 g/mol
Exact Mass342.28
IUPAC Name2-ethoxyethanol;1-ethoxy-2-methoxyethane;1-ethyl-2-propylbenzene
SMILESCCCc1ccccc1CC.CCOCCO.CCOCCOC
InChIInChI=1S/C11H16.C5H12O2.C4H10O2/c1-3-7-11-9-6-5-8-10(11)4-2;1-3-7-5-4-6-2;1-2-6-4-3-5/h5-6,8-9H,3-4,7H2,1-2H3;3-5H2,1-2H3;5H,2-4H2,1H3
InChIKeyMGONPXWZKVYPDR-UHFFFAOYSA-N
XLogP3.89
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethoxyethanol;1-ethoxy-2-methoxyethane;1-ethyl-2-propylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-Phenylpropoxy)ethanol
CID 23045260
(Z)-5-(2-methylphenyl)pent-4-en-1-ol
CID 129407870
Tributoxy-a-naphthyltitanium
CID 129665717
4-(2-Methylphenyl)hexa-2,3-dien-1-ol
CID 134858645
Ethylbenzene;2-hydroxyethyl 2-methylpropanoate;methyl 2-methylpropanoate
CID 139213501
1,2-Bis(ethenyl)benzene;2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 172413
3-(2-Oct-1-ynylphenyl)prop-2-yn-1-ol
CID 24203903
7-[3-[2-[3-(7-Hydroxyhept-5-ynoxy)prop-1-ynyl]phenyl]prop-2-ynoxy]hept-2-yn-1-ol
CID 24204212
4-[3-[2-[3-(4-Hydroxybut-2-ynoxy)prop-1-ynyl]phenyl]prop-2-ynoxy]but-2-yn-1-ol
CID 24204380
2-[(E)-3-phenylhept-1-enoxy]ethanol
CID 10633471
2-[(1E)-3-phenylhexa-1,5-dienoxy]ethanol
CID 10680342
2-[(E)-3-phenylpent-1-enoxy]ethanol
CID 10774672

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethanol;1-ethoxy-2-methoxyethane;1-ethyl-2-propylbenzene?
The IUPAC name of 2-ethoxyethanol;1-ethoxy-2-methoxyethane;1-ethyl-2-propylbenzene (CID 159560663) is 2-ethoxyethanol;1-ethoxy-2-methoxyethane;1-ethyl-2-propylbenzene.
What is the SMILES notation for 2-ethoxyethanol;1-ethoxy-2-methoxyethane;1-ethyl-2-propylbenzene?
The canonical SMILES for 2-ethoxyethanol;1-ethoxy-2-methoxyethane;1-ethyl-2-propylbenzene is CCCc1ccccc1CC.CCOCCO.CCOCCOC.
What is the InChIKey of 2-ethoxyethanol;1-ethoxy-2-methoxyethane;1-ethyl-2-propylbenzene?
The InChIKey is MGONPXWZKVYPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C5H12O2.C4H10O2/c1-3-7-11-9-6-5-8-10(11)4-2;1-3-7-5-4-6-2;1-2-6-4-3-5/h5-6,8-9H,3-4,7H2,1-2H3;3-5H2,1-2H3;5H,2-4H2,1H3.
What are the key properties of 2-ethoxyethanol;1-ethoxy-2-methoxyethane;1-ethyl-2-propylbenzene?
2-ethoxyethanol;1-ethoxy-2-methoxyethane;1-ethyl-2-propylbenzene has a molecular weight of 342.52 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethanol;1-ethoxy-2-methoxyethane;1-ethyl-2-propylbenzene is sourced from PubChem (CID 159560663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).