1-but-1-en-2-yl-4-ethoxybenzene;prop-1-yne

C15H20O — CID 143958976

IUPAC1-but-1-en-2-yl-4-ethoxybenzene;prop-1-yne
SMILESC#CC.C=C(CC)c1ccc(OCC)cc1
InChIInChI=1S/C12H16O.C3H4/c1-4-10(3)11-6-8-12(9-7-11)13-5-2;1-3-2/h6-9H,3-5H2,1-2H3;1H,2H3
InChIKeyRKXANRXOCCHARL-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.15
Rot. Bonds4

About 1-but-1-en-2-yl-4-ethoxybenzene;prop-1-yne

1-but-1-en-2-yl-4-ethoxybenzene;prop-1-yne (PubChem CID 143958976) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-but-1-en-2-yl-4-ethoxybenzene;prop-1-yne.

Molecular Properties

Compound Name1-but-1-en-2-yl-4-ethoxybenzene;prop-1-yne
PubChem CID143958976
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-but-1-en-2-yl-4-ethoxybenzene;prop-1-yne
SMILESC#CC.C=C(CC)c1ccc(OCC)cc1
InChIInChI=1S/C12H16O.C3H4/c1-4-10(3)11-6-8-12(9-7-11)13-5-2;1-3-2/h6-9H,3-5H2,1-2H3;1H,2H3
InChIKeyRKXANRXOCCHARL-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.15
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

1-but-1-en-2-yl-4-ethoxybenzene
CID 129179740
1-(4-ethoxyphenyl)ethenamine
CID 129289710
1-ethoxy-4-prop-2-ynoxybenzene
CID 20701293
1-ethoxy-4-(3-hydroperoxy-3-methylbut-1-en-2-yl)benzene
CID 24971485
1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
CID 129074944
(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
CID 6161397
1-ethoxy-4-[1-(4-ethoxyphenyl)prop-2-ynyl]benzene
CID 130239212
2-(4-ethoxyphenyl)-2-oxoacetic acid
CID 5054841
2-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)prop-2-en-1-one;hydrochloride
CID 139224093
1-(4-prop-2-ynoxyphenyl)propan-1-one
CID 15328999
1-(4-ethoxyphenyl)ethylidenehydrazine
CID 937394
N'-[1-(4-ethoxyphenyl)ethenyl]-2-phenylacetohydrazide
CID 3420448

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-4-ethoxybenzene;prop-1-yne?
The IUPAC name of 1-but-1-en-2-yl-4-ethoxybenzene;prop-1-yne (CID 143958976) is 1-but-1-en-2-yl-4-ethoxybenzene;prop-1-yne.
What is the SMILES notation for 1-but-1-en-2-yl-4-ethoxybenzene;prop-1-yne?
The canonical SMILES for 1-but-1-en-2-yl-4-ethoxybenzene;prop-1-yne is C#CC.C=C(CC)c1ccc(OCC)cc1.
What is the InChIKey of 1-but-1-en-2-yl-4-ethoxybenzene;prop-1-yne?
The InChIKey is RKXANRXOCCHARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.C3H4/c1-4-10(3)11-6-8-12(9-7-11)13-5-2;1-3-2/h6-9H,3-5H2,1-2H3;1H,2H3.
What are the key properties of 1-but-1-en-2-yl-4-ethoxybenzene;prop-1-yne?
1-but-1-en-2-yl-4-ethoxybenzene;prop-1-yne has a molecular weight of 216.32 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-4-ethoxybenzene;prop-1-yne is sourced from PubChem (CID 143958976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).