(3Z)-3-butylidene-2-benzofuran-1-one;ethane

C14H18O2 — CID 143103273

IUPAC(3Z)-3-butylidene-2-benzofuran-1-one;ethane
SMILESCC.CCC/C=C1\OC(=O)c2ccccc21
InChIInChI=1S/C12H12O2.C2H6/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11;1-2/h4-8H,2-3H2,1H3;1-2H3/b11-8-;
InChIKeyORKJXMVNWSWHBS-MKFZHGHUSA-N
MW218.30 g/mol
LogP4.02
Rot. Bonds2

About (3Z)-3-butylidene-2-benzofuran-1-one;ethane

(3Z)-3-butylidene-2-benzofuran-1-one;ethane (PubChem CID 143103273) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (3Z)-3-butylidene-2-benzofuran-1-one;ethane.

Molecular Properties

Compound Name(3Z)-3-butylidene-2-benzofuran-1-one;ethane
PubChem CID143103273
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(3Z)-3-butylidene-2-benzofuran-1-one;ethane
SMILESCC.CCC/C=C1\OC(=O)c2ccccc21
InChIInChI=1S/C12H12O2.C2H6/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11;1-2/h4-8H,2-3H2,1H3;1-2H3/b11-8-;
InChIKeyORKJXMVNWSWHBS-MKFZHGHUSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azane;3-butylidene-2-benzofuran-1-one
CID 174279522
(3Z)-3-butylidene-4-hydroxy-2-benzofuran-1-one
CID 642373
2-benzofuran-1,3-dione;ethane;propane
CID 91608967
benzene;2-benzofuran-1,3-dione;ethane;propane
CID 158385205
azane;2-benzofuran-1,3-dione;butane
CID 173276940
2-benzofuran-1,3-dione;ethane;methane;propane
CID 159420512
bis(2-benzofuran-1,3-dione);ethane
CID 143680396
3-butylidene-7-phenylmethoxy-2-benzofuran-1-one
CID 71377902
benzene;bis(2-benzofuran-1,3-dione);propane
CID 157076955
ethyl (3Z)-3-butylidene-1-oxo-2-benzofuran-4-carboxylate
CID 102077669
3-(bromomethylidene)-2-benzofuran-1-one
CID 74390240
(3Z)-3-butylidene-5-(oxan-4-yloxy)-2-benzofuran-1-one
CID 172554451

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-butylidene-2-benzofuran-1-one;ethane?
The IUPAC name of (3Z)-3-butylidene-2-benzofuran-1-one;ethane (CID 143103273) is (3Z)-3-butylidene-2-benzofuran-1-one;ethane.
What is the SMILES notation for (3Z)-3-butylidene-2-benzofuran-1-one;ethane?
The canonical SMILES for (3Z)-3-butylidene-2-benzofuran-1-one;ethane is CC.CCC/C=C1\OC(=O)c2ccccc21.
What is the InChIKey of (3Z)-3-butylidene-2-benzofuran-1-one;ethane?
The InChIKey is ORKJXMVNWSWHBS-MKFZHGHUSA-N. The full InChI is InChI=1S/C12H12O2.C2H6/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11;1-2/h4-8H,2-3H2,1H3;1-2H3/b11-8-;.
What are the key properties of (3Z)-3-butylidene-2-benzofuran-1-one;ethane?
(3Z)-3-butylidene-2-benzofuran-1-one;ethane has a molecular weight of 218.30 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-butylidene-2-benzofuran-1-one;ethane is sourced from PubChem (CID 143103273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).