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

C14H18O — CID 142109004

IUPAC(2E,3Z)-2,3-di(ethylidene)-1-benzofuran;ethane
SMILESC/C=c1\c(=C/C)oc2ccccc12.CC
InChIInChI=1S/C12H12O.C2H6/c1-3-9-10-7-5-6-8-12(10)13-11(9)4-2;1-2/h3-8H,1-2H3;1-2H3/b9-3-,11-4+;
InChIKeyXHUSRYMKCTZFBW-BPMLPNQQSA-N
MW202.30 g/mol
LogP3.06
Rot. Bonds

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

(2E,3Z)-2,3-di(ethylidene)-1-benzofuran;ethane (PubChem CID 142109004) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (2E,3Z)-2,3-di(ethylidene)-1-benzofuran;ethane.

Molecular Properties

Compound Name(2E,3Z)-2,3-di(ethylidene)-1-benzofuran;ethane
PubChem CID142109004
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(2E,3Z)-2,3-di(ethylidene)-1-benzofuran;ethane
SMILESC/C=c1\c(=C/C)oc2ccccc12.CC
InChIInChI=1S/C12H12O.C2H6/c1-3-9-10-7-5-6-8-12(10)13-11(9)4-2;1-2/h3-8H,1-2H3;1-2H3/b9-3-,11-4+;
InChIKeyXHUSRYMKCTZFBW-BPMLPNQQSA-N
XLogP3.06
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-benzofuran
CID 142403527
ethane;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran
CID 144636114
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
dibenzofuran;hydrate
CID 70610865
dibenzofuran;hydrofluoride
CID 158307405
2,3-dimethyl-1-benzofuran;ethane
CID 142047308
(3Z)-2-methylidene-3-propylidene-1-benzofuran
CID 144554167
dibenzofuran;molecular hydrogen
CID 173065186
dibenzofuran;dihydrate;dihydrochloride
CID 21327105
(2E,3Z)-2,3-di(ethylidene)-1H-indole;ethane;molecular hydrogen;propane
CID 145376843
2-[(3Z)-3-ethylidene-2-methylidene-1-benzofuran-5-yl]dibenzofuran
CID 144553605
ethane;2-methyl-1-benzofuran-3-thiol
CID 145124466

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2,3-di(ethylidene)-1-benzofuran;ethane?
The IUPAC name of (2E,3Z)-2,3-di(ethylidene)-1-benzofuran;ethane (CID 142109004) is (2E,3Z)-2,3-di(ethylidene)-1-benzofuran;ethane.
What is the SMILES notation for (2E,3Z)-2,3-di(ethylidene)-1-benzofuran;ethane?
The canonical SMILES for (2E,3Z)-2,3-di(ethylidene)-1-benzofuran;ethane is C/C=c1\c(=C/C)oc2ccccc12.CC.
What is the InChIKey of (2E,3Z)-2,3-di(ethylidene)-1-benzofuran;ethane?
The InChIKey is XHUSRYMKCTZFBW-BPMLPNQQSA-N. The full InChI is InChI=1S/C12H12O.C2H6/c1-3-9-10-7-5-6-8-12(10)13-11(9)4-2;1-2/h3-8H,1-2H3;1-2H3/b9-3-,11-4+;.
What are the key properties of (2E,3Z)-2,3-di(ethylidene)-1-benzofuran;ethane?
(2E,3Z)-2,3-di(ethylidene)-1-benzofuran;ethane has a molecular weight of 202.30 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2,3-di(ethylidene)-1-benzofuran;ethane is sourced from PubChem (CID 142109004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).