1-ethoxy-4-ethyl-2-pent-3-ynylbenzene

C15H20O — CID 83942596

IUPAC1-ethoxy-4-ethyl-2-pent-3-ynylbenzene
SMILESCC#CCCc1cc(CC)ccc1OCC
InChIInChI=1S/C15H20O/c1-4-7-8-9-14-12-13(5-2)10-11-15(14)16-6-3/h10-12H,5-6,8-9H2,1-3H3
InChIKeyYXEXGAPOKHEONU-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.60
Rot. Bonds5

About 1-ethoxy-4-ethyl-2-pent-3-ynylbenzene

1-ethoxy-4-ethyl-2-pent-3-ynylbenzene (PubChem CID 83942596) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-ethoxy-4-ethyl-2-pent-3-ynylbenzene.

Molecular Properties

Compound Name1-ethoxy-4-ethyl-2-pent-3-ynylbenzene
PubChem CID83942596
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-ethoxy-4-ethyl-2-pent-3-ynylbenzene
SMILESCC#CCCc1cc(CC)ccc1OCC
InChIInChI=1S/C15H20O/c1-4-7-8-9-14-12-13(5-2)10-11-15(14)16-6-3/h10-12H,5-6,8-9H2,1-3H3
InChIKeyYXEXGAPOKHEONU-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-ethoxy-5-ethylphenyl)methyl]propane-1,3-diamine
CID 83942546
2-ethoxy-4-ethyl-1-propylbenzene
CID 14665571
3-(2-ethoxy-5-ethylphenyl)-1-(2-ethoxyphenyl)propan-1-one
CID 70018291
1,4-diethyl-2-hex-3-ynylbenzene
CID 83920971
1,2-dimethoxy-4-pent-3-ynylbenzene
CID 54333126
2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine
CID 62311006
1-ethoxy-4-ethyl-2-(trifluoromethyl)benzene
CID 118314791
1-(3-ethoxy-4-pent-3-ynoxyphenyl)butan-2-amine
CID 104807754
1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride
CID 170890481
N-[(3-ethoxy-4-pent-3-ynoxyphenyl)methyl]-2-methylpropan-1-amine
CID 104804987
3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866696
1-(2-ethoxy-5-ethylphenyl)-2-methylheptan-4-one
CID 83942574

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-ethyl-2-pent-3-ynylbenzene?
The IUPAC name of 1-ethoxy-4-ethyl-2-pent-3-ynylbenzene (CID 83942596) is 1-ethoxy-4-ethyl-2-pent-3-ynylbenzene.
What is the SMILES notation for 1-ethoxy-4-ethyl-2-pent-3-ynylbenzene?
The canonical SMILES for 1-ethoxy-4-ethyl-2-pent-3-ynylbenzene is CC#CCCc1cc(CC)ccc1OCC.
What is the InChIKey of 1-ethoxy-4-ethyl-2-pent-3-ynylbenzene?
The InChIKey is YXEXGAPOKHEONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-4-7-8-9-14-12-13(5-2)10-11-15(14)16-6-3/h10-12H,5-6,8-9H2,1-3H3.
What are the key properties of 1-ethoxy-4-ethyl-2-pent-3-ynylbenzene?
1-ethoxy-4-ethyl-2-pent-3-ynylbenzene has a molecular weight of 216.32 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-ethyl-2-pent-3-ynylbenzene is sourced from PubChem (CID 83942596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).