benzene;ethane;2-ethoxypropane

C13H24O — CID 145144041

IUPACbenzene;ethane;2-ethoxypropane
SMILESCC.CCOC(C)C.c1ccccc1
InChIInChI=1S/C6H6.C5H12O.C2H6/c1-2-4-6-5-3-1;1-4-6-5(2)3;1-2/h1-6H;5H,4H2,1-3H3;1-2H3
InChIKeyNFPHKCBCABJGNQ-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.14
Rot. Bonds2

About benzene;ethane;2-ethoxypropane

benzene;ethane;2-ethoxypropane (PubChem CID 145144041) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is benzene;ethane;2-ethoxypropane.

Molecular Properties

Compound Namebenzene;ethane;2-ethoxypropane
PubChem CID145144041
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Namebenzene;ethane;2-ethoxypropane
SMILESCC.CCOC(C)C.c1ccccc1
InChIInChI=1S/C6H6.C5H12O.C2H6/c1-2-4-6-5-3-1;1-4-6-5(2)3;1-2/h1-6H;5H,4H2,1-3H3;1-2H3
InChIKeyNFPHKCBCABJGNQ-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze benzene;ethane;2-ethoxypropane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;2-ethoxypropane?
The IUPAC name of benzene;ethane;2-ethoxypropane (CID 145144041) is benzene;ethane;2-ethoxypropane.
What is the SMILES notation for benzene;ethane;2-ethoxypropane?
The canonical SMILES for benzene;ethane;2-ethoxypropane is CC.CCOC(C)C.c1ccccc1.
What is the InChIKey of benzene;ethane;2-ethoxypropane?
The InChIKey is NFPHKCBCABJGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H12O.C2H6/c1-2-4-6-5-3-1;1-4-6-5(2)3;1-2/h1-6H;5H,4H2,1-3H3;1-2H3.
What are the key properties of benzene;ethane;2-ethoxypropane?
benzene;ethane;2-ethoxypropane has a molecular weight of 196.33 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;2-ethoxypropane is sourced from PubChem (CID 145144041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).