1-but-1-en-2-yl-4-ethoxybenzene

C12H16O — CID 129179740

IUPAC1-but-1-en-2-yl-4-ethoxybenzene
SMILESC=C(CC)c1ccc(OCC)cc1
InChIInChI=1S/C12H16O/c1-4-10(3)11-6-8-12(9-7-11)13-5-2/h6-9H,3-5H2,1-2H3
InChIKeyODHMEXGWCDQJFN-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.51
Rot. Bonds4

About 1-but-1-en-2-yl-4-ethoxybenzene

1-but-1-en-2-yl-4-ethoxybenzene (PubChem CID 129179740) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-but-1-en-2-yl-4-ethoxybenzene.

Molecular Properties

Compound Name1-but-1-en-2-yl-4-ethoxybenzene
PubChem CID129179740
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-but-1-en-2-yl-4-ethoxybenzene
SMILESC=C(CC)c1ccc(OCC)cc1
InChIInChI=1S/C12H16O/c1-4-10(3)11-6-8-12(9-7-11)13-5-2/h6-9H,3-5H2,1-2H3
InChIKeyODHMEXGWCDQJFN-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-but-1-en-2-yl-4-ethoxybenzene;prop-1-yne
CID 143958976
1-(4-ethoxyphenyl)ethenamine
CID 129289710
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
2-(4-ethoxyphenyl)-2-oxoacetic acid
CID 5054841
2-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)prop-2-en-1-one;hydrochloride
CID 139224093
1-(4-ethoxyphenyl)ethylidenehydrazine
CID 937394
4-(4-ethoxyphenyl)benzamide
CID 163572533
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715
(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-4-ethoxybenzene?
The IUPAC name of 1-but-1-en-2-yl-4-ethoxybenzene (CID 129179740) is 1-but-1-en-2-yl-4-ethoxybenzene.
What is the SMILES notation for 1-but-1-en-2-yl-4-ethoxybenzene?
The canonical SMILES for 1-but-1-en-2-yl-4-ethoxybenzene is C=C(CC)c1ccc(OCC)cc1.
What is the InChIKey of 1-but-1-en-2-yl-4-ethoxybenzene?
The InChIKey is ODHMEXGWCDQJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-4-10(3)11-6-8-12(9-7-11)13-5-2/h6-9H,3-5H2,1-2H3.
What are the key properties of 1-but-1-en-2-yl-4-ethoxybenzene?
1-but-1-en-2-yl-4-ethoxybenzene has a molecular weight of 176.26 g/mol, XLogP of 3.51, 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 is sourced from PubChem (CID 129179740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).