ethane;1-ethyl-2-methoxy-3-propoxybenzene

C14H24O2 — CID 143988437

IUPACethane;1-ethyl-2-methoxy-3-propoxybenzene
SMILESCC.CCCOc1cccc(CC)c1OC
InChIInChI=1S/C12H18O2.C2H6/c1-4-9-14-11-8-6-7-10(5-2)12(11)13-3;1-2/h6-8H,4-5,9H2,1-3H3;1-2H3
InChIKeyCFRNKNILLYKJBT-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.07
Rot. Bonds5

About ethane;1-ethyl-2-methoxy-3-propoxybenzene

ethane;1-ethyl-2-methoxy-3-propoxybenzene (PubChem CID 143988437) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethane;1-ethyl-2-methoxy-3-propoxybenzene.

Molecular Properties

Compound Nameethane;1-ethyl-2-methoxy-3-propoxybenzene
PubChem CID143988437
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethane;1-ethyl-2-methoxy-3-propoxybenzene
SMILESCC.CCCOc1cccc(CC)c1OC
InChIInChI=1S/C12H18O2.C2H6/c1-4-9-14-11-8-6-7-10(5-2)12(11)13-3;1-2/h6-8H,4-5,9H2,1-3H3;1-2H3
InChIKeyCFRNKNILLYKJBT-UHFFFAOYSA-N
XLogP4.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
CID 82160468
2-methoxy-3-pentoxybenzaldehyde
CID 82161467
1-(bromomethyl)-3-ethyl-2-methoxybenzene
CID 126971204
2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine
CID 82160452
3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine
CID 82160341
2-dodecoxy-1-methoxy-3-propoxybenzene
CID 142743634
1-ethyl-2,3-bis(3-methylbutoxy)benzene
CID 91472485
1-(2-methoxy-3-pentoxyphenyl)propan-2-ol
CID 82160918
1-(bromomethyl)-2-propoxybenzene
CID 43141572
1-bromo-2,3-dipropoxybenzene
CID 91157628
2-(2-methoxyethoxy)-3-propoxybenzaldehyde
CID 86623125
3-butoxy-2-methoxybenzoic acid
CID 82161610

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2-methoxy-3-propoxybenzene?
The IUPAC name of ethane;1-ethyl-2-methoxy-3-propoxybenzene (CID 143988437) is ethane;1-ethyl-2-methoxy-3-propoxybenzene.
What is the SMILES notation for ethane;1-ethyl-2-methoxy-3-propoxybenzene?
The canonical SMILES for ethane;1-ethyl-2-methoxy-3-propoxybenzene is CC.CCCOc1cccc(CC)c1OC.
What is the InChIKey of ethane;1-ethyl-2-methoxy-3-propoxybenzene?
The InChIKey is CFRNKNILLYKJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2.C2H6/c1-4-9-14-11-8-6-7-10(5-2)12(11)13-3;1-2/h6-8H,4-5,9H2,1-3H3;1-2H3.
What are the key properties of ethane;1-ethyl-2-methoxy-3-propoxybenzene?
ethane;1-ethyl-2-methoxy-3-propoxybenzene has a molecular weight of 224.34 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2-methoxy-3-propoxybenzene is sourced from PubChem (CID 143988437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).