ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-benzofuran

C15H18O — CID 142403527

IUPACethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-benzofuran
SMILESC=C/C=c1\c(=C/C)oc2ccccc12.CC
InChIInChI=1S/C13H12O.C2H6/c1-3-7-10-11-8-5-6-9-13(11)14-12(10)4-2;1-2/h3-9H,1H2,2H3;1-2H3/b10-7-,12-4+;
InChIKeyVWFZMZQDUQNBAI-HJUAIPRWSA-N
MW214.31 g/mol
LogP3.23
Rot. Bonds1

About ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-benzofuran

ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-benzofuran (PubChem CID 142403527) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-benzofuran.

Molecular Properties

Compound Nameethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-benzofuran
PubChem CID142403527
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Nameethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-benzofuran
SMILESC=C/C=c1\c(=C/C)oc2ccccc12.CC
InChIInChI=1S/C13H12O.C2H6/c1-3-7-10-11-8-5-6-9-13(11)14-12(10)4-2;1-2/h3-9H,1H2,2H3;1-2H3/b10-7-,12-4+;
InChIKeyVWFZMZQDUQNBAI-HJUAIPRWSA-N
XLogP3.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2E,3Z)-2,3-di(ethylidene)-1-benzofuran;ethane
CID 142109004
(2E,3Z)-5-bromo-2-ethylidene-3-prop-2-enylidene-1-benzofuran
CID 144567617
ethane;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran
CID 144636114
(5Z,6E)-6-ethylidene-4-phenyl-5-prop-2-enylidenefuro[2,3-d]pyrimidine
CID 167165100
1-methylcyclohexa-1,3-diene;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran;prop-1-ene
CID 177209632
(2E,3Z)-3-ethylidene-N-(naphthalen-1-ylmethyl)-2-prop-2-enylidene-1-benzofuran-5-amine
CID 142075880
(3Z)-2-methylidene-3-propylidene-1-benzofuran
CID 144554167
(10E)-9-methylidene-10-prop-2-enylidenephenanthrene
CID 145283631
CID 177209645
CID 177209645
(3E,4Z)-4-ethylidene-3-prop-2-enylideneisoquinoline
CID 143672117
(3Z)-2-methylidene-3-prop-2-enylidene-1H-indole
CID 142891286
ethane;(4E)-2-methyl-3-methylidene-1-[(Z)-prop-1-enyl]-4-prop-2-enylidenenaphthalene
CID 145120170

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-benzofuran?
The IUPAC name of ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-benzofuran (CID 142403527) is ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-benzofuran.
What is the SMILES notation for ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-benzofuran?
The canonical SMILES for ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-benzofuran is C=C/C=c1\c(=C/C)oc2ccccc12.CC.
What is the InChIKey of ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-benzofuran?
The InChIKey is VWFZMZQDUQNBAI-HJUAIPRWSA-N. The full InChI is InChI=1S/C13H12O.C2H6/c1-3-7-10-11-8-5-6-9-13(11)14-12(10)4-2;1-2/h3-9H,1H2,2H3;1-2H3/b10-7-,12-4+;.
What are the key properties of ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-benzofuran?
ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-benzofuran has a molecular weight of 214.31 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-benzofuran is sourced from PubChem (CID 142403527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).