ethane;1-ethyl-3-(2-methoxyethoxy)benzene

C13H22O2 — CID 143725382

IUPACethane;1-ethyl-3-(2-methoxyethoxy)benzene
SMILESCC.CCc1cccc(OCCOC)c1
InChIInChI=1S/C11H16O2.C2H6/c1-3-10-5-4-6-11(9-10)13-8-7-12-2;1-2/h4-6,9H,3,7-8H2,1-2H3;1-2H3
InChIKeyNVXIXKUDVPZHHC-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.30
Rot. Bonds5

About ethane;1-ethyl-3-(2-methoxyethoxy)benzene

ethane;1-ethyl-3-(2-methoxyethoxy)benzene (PubChem CID 143725382) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is ethane;1-ethyl-3-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Nameethane;1-ethyl-3-(2-methoxyethoxy)benzene
PubChem CID143725382
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Nameethane;1-ethyl-3-(2-methoxyethoxy)benzene
SMILESCC.CCc1cccc(OCCOC)c1
InChIInChI=1S/C11H16O2.C2H6/c1-3-10-5-4-6-11(9-10)13-8-7-12-2;1-2/h4-6,9H,3,7-8H2,1-2H3;1-2H3
InChIKeyNVXIXKUDVPZHHC-UHFFFAOYSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.30
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
3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62599161
1-(4-bromobutoxy)-3-ethylbenzene
CID 43165198
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene
CID 58531244
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
4-O-[2-(3-ethylphenoxy)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55308189
1-(3-ethoxypropoxy)-3-ethylbenzene
CID 65178127
1-ethyl-3-(3-methylbutoxy)benzene
CID 64763822
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
4-(3-ethylphenoxy)butanamide
CID 82040637

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-(2-methoxyethoxy)benzene?
The IUPAC name of ethane;1-ethyl-3-(2-methoxyethoxy)benzene (CID 143725382) is ethane;1-ethyl-3-(2-methoxyethoxy)benzene.
What is the SMILES notation for ethane;1-ethyl-3-(2-methoxyethoxy)benzene?
The canonical SMILES for ethane;1-ethyl-3-(2-methoxyethoxy)benzene is CC.CCc1cccc(OCCOC)c1.
What is the InChIKey of ethane;1-ethyl-3-(2-methoxyethoxy)benzene?
The InChIKey is NVXIXKUDVPZHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2.C2H6/c1-3-10-5-4-6-11(9-10)13-8-7-12-2;1-2/h4-6,9H,3,7-8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-3-(2-methoxyethoxy)benzene?
ethane;1-ethyl-3-(2-methoxyethoxy)benzene has a molecular weight of 210.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-(2-methoxyethoxy)benzene is sourced from PubChem (CID 143725382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).