(2-ethoxy-1-propoxyethyl)benzene

C13H20O2 — CID 54522303

IUPAC(2-ethoxy-1-propoxyethyl)benzene
SMILESCCCOC(COCC)c1ccccc1
InChIInChI=1S/C13H20O2/c1-3-10-15-13(11-14-4-2)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKeyKAKPADZMCQSCQP-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.19
Rot. Bonds7

About (2-ethoxy-1-propoxyethyl)benzene

(2-ethoxy-1-propoxyethyl)benzene (PubChem CID 54522303) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (2-ethoxy-1-propoxyethyl)benzene.

Molecular Properties

Compound Name(2-ethoxy-1-propoxyethyl)benzene
PubChem CID54522303
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(2-ethoxy-1-propoxyethyl)benzene
SMILESCCCOC(COCC)c1ccccc1
InChIInChI=1S/C13H20O2/c1-3-10-15-13(11-14-4-2)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKeyKAKPADZMCQSCQP-UHFFFAOYSA-N
XLogP3.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-2-ethoxy-1-methoxyethyl]benzene
CID 155459528
[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene
CID 10983775
1-pentoxypropylbenzene
CID 57033372
propyl 3-ethoxy-2-phenylpropanoate
CID 138629515
[ethoxy(2-ethoxyethoxy)methyl]benzene
CID 139725273
1-pentoxybutylbenzene
CID 173061669
N'-hydroxy-3-phenyl-3-propoxypropanimidamide
CID 115001465
N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 55072970
N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-2-amine
CID 62108265
[(2R)-4-ethoxybutan-2-yl]benzene
CID 67208388
(1-ethoxy-3-methylbutan-2-yl)benzene
CID 67083909
1-dodecoxyhexylbenzene
CID 174774790

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-1-propoxyethyl)benzene?
The IUPAC name of (2-ethoxy-1-propoxyethyl)benzene (CID 54522303) is (2-ethoxy-1-propoxyethyl)benzene.
What is the SMILES notation for (2-ethoxy-1-propoxyethyl)benzene?
The canonical SMILES for (2-ethoxy-1-propoxyethyl)benzene is CCCOC(COCC)c1ccccc1.
What is the InChIKey of (2-ethoxy-1-propoxyethyl)benzene?
The InChIKey is KAKPADZMCQSCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-10-15-13(11-14-4-2)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3.
What are the key properties of (2-ethoxy-1-propoxyethyl)benzene?
(2-ethoxy-1-propoxyethyl)benzene has a molecular weight of 208.30 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-1-propoxyethyl)benzene is sourced from PubChem (CID 54522303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).