2-ethoxy-1,3-dipropylbenzene

C14H22O — CID 14665558

IUPAC2-ethoxy-1,3-dipropylbenzene
SMILESCCCc1cccc(CCC)c1OCC
InChIInChI=1S/C14H22O/c1-4-8-12-10-7-11-13(9-5-2)14(12)15-6-3/h7,10-11H,4-6,8-9H2,1-3H3
InChIKeyUSEWKXVBEZEWPJ-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.99
Rot. Bonds6

About 2-ethoxy-1,3-dipropylbenzene

2-ethoxy-1,3-dipropylbenzene (PubChem CID 14665558) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-ethoxy-1,3-dipropylbenzene.

Molecular Properties

Compound Name2-ethoxy-1,3-dipropylbenzene
PubChem CID14665558
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-ethoxy-1,3-dipropylbenzene
SMILESCCCc1cccc(CCC)c1OCC
InChIInChI=1S/C14H22O/c1-4-8-12-10-7-11-13(9-5-2)14(12)15-6-3/h7,10-11H,4-6,8-9H2,1-3H3
InChIKeyUSEWKXVBEZEWPJ-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-ethoxy-3-propylbenzene
CID 143260119
[2-ethoxy-3-(hydroxymethyl)phenyl]methanol
CID 118269330
2-(3-bromo-2-ethoxyphenyl)ethanamine
CID 61391880
methanamine;1-propylnaphthalene
CID 174438724
1-fluoro-5-propylnaphthalene
CID 143275008
ethyl (2S)-2-(2,6-dipropylphenoxy)propanoate
CID 125497853
2-ethoxy-6-propylbenzoic acid
CID 142472864
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
O-(2-tert-butyl-6-propylphenyl)hydroxylamine
CID 155118579
1,2-diphenoxy-3-propylbenzene
CID 18381159
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
1-(2-methyl-6-propylphenoxy)butan-2-amine
CID 45097705

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3-dipropylbenzene?
The IUPAC name of 2-ethoxy-1,3-dipropylbenzene (CID 14665558) is 2-ethoxy-1,3-dipropylbenzene.
What is the SMILES notation for 2-ethoxy-1,3-dipropylbenzene?
The canonical SMILES for 2-ethoxy-1,3-dipropylbenzene is CCCc1cccc(CCC)c1OCC.
What is the InChIKey of 2-ethoxy-1,3-dipropylbenzene?
The InChIKey is USEWKXVBEZEWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-4-8-12-10-7-11-13(9-5-2)14(12)15-6-3/h7,10-11H,4-6,8-9H2,1-3H3.
What are the key properties of 2-ethoxy-1,3-dipropylbenzene?
2-ethoxy-1,3-dipropylbenzene has a molecular weight of 206.33 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3-dipropylbenzene is sourced from PubChem (CID 14665558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).