1,3-bis(2-ethoxypropyl)benzene

C16H26O2 — CID 71389865

IUPAC1,3-bis(2-ethoxypropyl)benzene
SMILESCCOC(C)Cc1cccc(CC(C)OCC)c1
InChIInChI=1S/C16H26O2/c1-5-17-13(3)10-15-8-7-9-16(12-15)11-14(4)18-6-2/h7-9,12-14H,5-6,10-11H2,1-4H3
InChIKeyQJNUSAZWRJCRPH-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.62
Rot. Bonds8

About 1,3-bis(2-ethoxypropyl)benzene

1,3-bis(2-ethoxypropyl)benzene (PubChem CID 71389865) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1,3-bis(2-ethoxypropyl)benzene.

Molecular Properties

Compound Name1,3-bis(2-ethoxypropyl)benzene
PubChem CID71389865
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1,3-bis(2-ethoxypropyl)benzene
SMILESCCOC(C)Cc1cccc(CC(C)OCC)c1
InChIInChI=1S/C16H26O2/c1-5-17-13(3)10-15-8-7-9-16(12-15)11-14(4)18-6-2/h7-9,12-14H,5-6,10-11H2,1-4H3
InChIKeyQJNUSAZWRJCRPH-UHFFFAOYSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroperoxypropyl)-3-propylbenzene
CID 88531628
1,3-bis[(2S)-2-methylbutyl]benzene
CID 102208674
1-ethoxy-2-[3-(1-hydroxyethyl)phenyl]ethanol
CID 175219861
1,1-diethoxyethane;2-phenylethylbenzene
CID 66689331
1-(3-bromophenyl)-3-ethoxybutan-2-amine
CID 64540486
2-ethoxy-3-(3-methylphenyl)propanoic acid
CID 84722685
2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543713
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116725223
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
2-[3-(2-amino-2-propoxyethyl)phenyl]-1-propoxyethanamine
CID 70601894
1-[3-(propan-2-yloxymethyl)phenyl]propan-2-amine
CID 83883412
(2-bromo-2-ethoxyethyl)benzene
CID 18694508

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-ethoxypropyl)benzene?
The IUPAC name of 1,3-bis(2-ethoxypropyl)benzene (CID 71389865) is 1,3-bis(2-ethoxypropyl)benzene.
What is the SMILES notation for 1,3-bis(2-ethoxypropyl)benzene?
The canonical SMILES for 1,3-bis(2-ethoxypropyl)benzene is CCOC(C)Cc1cccc(CC(C)OCC)c1.
What is the InChIKey of 1,3-bis(2-ethoxypropyl)benzene?
The InChIKey is QJNUSAZWRJCRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-5-17-13(3)10-15-8-7-9-16(12-15)11-14(4)18-6-2/h7-9,12-14H,5-6,10-11H2,1-4H3.
What are the key properties of 1,3-bis(2-ethoxypropyl)benzene?
1,3-bis(2-ethoxypropyl)benzene has a molecular weight of 250.38 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-ethoxypropyl)benzene is sourced from PubChem (CID 71389865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).