1-methoxyethylbenzene;methyl formate;propane

C14H24O3 — CID 161186417

IUPAC1-methoxyethylbenzene;methyl formate;propane
SMILESCCC.COC(C)c1ccccc1.COC=O
InChIInChI=1S/C9H12O.C3H8.C2H4O2/c1-8(10-2)9-6-4-3-5-7-9;1-3-2;1-4-2-3/h3-8H,1-2H3;3H2,1-2H3;2H,1H3
InChIKeyUTDHPBWRXWMSEY-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.60
Rot. Bonds3

About 1-methoxyethylbenzene;methyl formate;propane

1-methoxyethylbenzene;methyl formate;propane (PubChem CID 161186417) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 1-methoxyethylbenzene;methyl formate;propane.

Molecular Properties

Compound Name1-methoxyethylbenzene;methyl formate;propane
PubChem CID161186417
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name1-methoxyethylbenzene;methyl formate;propane
SMILESCCC.COC(C)c1ccccc1.COC=O
InChIInChI=1S/C9H12O.C3H8.C2H4O2/c1-8(10-2)9-6-4-3-5-7-9;1-3-2;1-4-2-3/h3-8H,1-2H3;3H2,1-2H3;2H,1H3
InChIKeyUTDHPBWRXWMSEY-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-phenylethyl] formate
CID 76963066
[(4S)-4-methoxyhexan-2-yl]benzene
CID 166439539
1,1-dimethoxyethane;2-phenylpropanal
CID 87274023
[4-(1-methoxyethyl)phenyl]-diphenylbismuthane
CID 167627453
2-methyl-3-phenylbutanal
CID 3024886
bromomethylbenzene;methyl formate
CID 170165460
[(1R)-1-phenylethyl] 2-oxoacetate
CID 54399353
1-phenylethyl 3-(ethylamino)-2-methylpropanoate
CID 62852098
cumene;2-methylpropane;propane
CID 158125037
2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine
CID 107095421
tert-butylbenzene;methyl formate
CID 174802474
1-[4-[(1R)-1-methoxyethyl]phenyl]propan-1-one
CID 124500314

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethylbenzene;methyl formate;propane?
The IUPAC name of 1-methoxyethylbenzene;methyl formate;propane (CID 161186417) is 1-methoxyethylbenzene;methyl formate;propane.
What is the SMILES notation for 1-methoxyethylbenzene;methyl formate;propane?
The canonical SMILES for 1-methoxyethylbenzene;methyl formate;propane is CCC.COC(C)c1ccccc1.COC=O.
What is the InChIKey of 1-methoxyethylbenzene;methyl formate;propane?
The InChIKey is UTDHPBWRXWMSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C3H8.C2H4O2/c1-8(10-2)9-6-4-3-5-7-9;1-3-2;1-4-2-3/h3-8H,1-2H3;3H2,1-2H3;2H,1H3.
What are the key properties of 1-methoxyethylbenzene;methyl formate;propane?
1-methoxyethylbenzene;methyl formate;propane has a molecular weight of 240.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethylbenzene;methyl formate;propane is sourced from PubChem (CID 161186417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).