ethane;1-ethoxy-2-propoxybenzene;formic acid

C14H24O4 — CID 142473049

IUPACethane;1-ethoxy-2-propoxybenzene;formic acid
SMILESCC.CCCOc1ccccc1OCC.O=CO
InChIInChI=1S/C11H16O2.C2H6.CH2O2/c1-3-9-13-11-8-6-5-7-10(11)12-4-2;1-2;2-1-3/h5-8H,3-4,9H2,1-2H3;1-2H3;1H,(H,2,3)
InChIKeyDAEIBYFRSIRGPW-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.60
Rot. Bonds5

About ethane;1-ethoxy-2-propoxybenzene;formic acid

ethane;1-ethoxy-2-propoxybenzene;formic acid (PubChem CID 142473049) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is ethane;1-ethoxy-2-propoxybenzene;formic acid.

Molecular Properties

Compound Nameethane;1-ethoxy-2-propoxybenzene;formic acid
PubChem CID142473049
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Nameethane;1-ethoxy-2-propoxybenzene;formic acid
SMILESCC.CCCOc1ccccc1OCC.O=CO
InChIInChI=1S/C11H16O2.C2H6.CH2O2/c1-3-9-13-11-8-6-5-7-10(11)12-4-2;1-2;2-1-3/h5-8H,3-4,9H2,1-2H3;1-2H3;1H,(H,2,3)
InChIKeyDAEIBYFRSIRGPW-UHFFFAOYSA-N
XLogP3.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromopropoxy)-2-propoxybenzene
CID 43135429
1-(2-propoxyphenyl)ethanol
CID 43503976
propyl 2-(2-ethoxyphenoxy)acetate
CID 112724725
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
2-(3-ethoxy-4-propoxyphenyl)acetaldehyde
CID 82362954
1-(chloromethoxy)-2-propoxybenzene
CID 79530194
N-ethyl-2-(2-propoxyphenoxy)ethanamine
CID 6459111
1-(2-propoxyphenoxy)pentan-2-one
CID 62043591
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
3-ethoxy-2-propoxyphenol
CID 174814735
4-(2-propoxyphenoxy)butan-2-amine
CID 43118980
ethane;1-prop-1-enyl-2-propoxybenzene
CID 91525443

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethoxy-2-propoxybenzene;formic acid?
The IUPAC name of ethane;1-ethoxy-2-propoxybenzene;formic acid (CID 142473049) is ethane;1-ethoxy-2-propoxybenzene;formic acid.
What is the SMILES notation for ethane;1-ethoxy-2-propoxybenzene;formic acid?
The canonical SMILES for ethane;1-ethoxy-2-propoxybenzene;formic acid is CC.CCCOc1ccccc1OCC.O=CO.
What is the InChIKey of ethane;1-ethoxy-2-propoxybenzene;formic acid?
The InChIKey is DAEIBYFRSIRGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2.C2H6.CH2O2/c1-3-9-13-11-8-6-5-7-10(11)12-4-2;1-2;2-1-3/h5-8H,3-4,9H2,1-2H3;1-2H3;1H,(H,2,3).
What are the key properties of ethane;1-ethoxy-2-propoxybenzene;formic acid?
ethane;1-ethoxy-2-propoxybenzene;formic acid has a molecular weight of 256.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethoxy-2-propoxybenzene;formic acid is sourced from PubChem (CID 142473049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).