1,2-diethoxy-4-(3-ethoxypropyl)benzene

C15H24O3 — CID 142643440

IUPAC1,2-diethoxy-4-(3-ethoxypropyl)benzene
SMILESCCOCCCc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C15H24O3/c1-4-16-11-7-8-13-9-10-14(17-5-2)15(12-13)18-6-3/h9-10,12H,4-8,11H2,1-3H3
InChIKeyABRXATWEWVMSQG-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.45
Rot. Bonds9

About 1,2-diethoxy-4-(3-ethoxypropyl)benzene

1,2-diethoxy-4-(3-ethoxypropyl)benzene (PubChem CID 142643440) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1,2-diethoxy-4-(3-ethoxypropyl)benzene.

Molecular Properties

Compound Name1,2-diethoxy-4-(3-ethoxypropyl)benzene
PubChem CID142643440
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1,2-diethoxy-4-(3-ethoxypropyl)benzene
SMILESCCOCCCc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C15H24O3/c1-4-16-11-7-8-13-9-10-14(17-5-2)15(12-13)18-6-3/h9-10,12H,4-8,11H2,1-3H3
InChIKeyABRXATWEWVMSQG-UHFFFAOYSA-N
XLogP3.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-diethoxy-4-propylbenzene
CID 3995471
1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine
CID 65181053
N-[[3-ethoxy-4-(3-ethoxypropoxy)phenyl]methyl]propan-2-amine
CID 65176014
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
1-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111026047
N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine
CID 65300915
[4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine
CID 61483340
(3,4-diethoxyphenyl)methylazanium
CID 7019296
4-(chloromethyl)-1,2-diethoxybenzene
CID 2434831
3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol
CID 170887590
4-(2-cyclohexylethyl)-1,2-diethoxybenzene
CID 91085338
3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine
CID 116989176

Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxy-4-(3-ethoxypropyl)benzene?
The IUPAC name of 1,2-diethoxy-4-(3-ethoxypropyl)benzene (CID 142643440) is 1,2-diethoxy-4-(3-ethoxypropyl)benzene.
What is the SMILES notation for 1,2-diethoxy-4-(3-ethoxypropyl)benzene?
The canonical SMILES for 1,2-diethoxy-4-(3-ethoxypropyl)benzene is CCOCCCc1ccc(OCC)c(OCC)c1.
What is the InChIKey of 1,2-diethoxy-4-(3-ethoxypropyl)benzene?
The InChIKey is ABRXATWEWVMSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-4-16-11-7-8-13-9-10-14(17-5-2)15(12-13)18-6-3/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of 1,2-diethoxy-4-(3-ethoxypropyl)benzene?
1,2-diethoxy-4-(3-ethoxypropyl)benzene has a molecular weight of 252.35 g/mol, XLogP of 3.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxy-4-(3-ethoxypropyl)benzene is sourced from PubChem (CID 142643440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).