ethane;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran

C14H16O — CID 144636114

IUPACethane;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran
SMILESC=C/C=c1/oc2ccccc2c1=C.CC
InChIInChI=1S/C12H10O.C2H6/c1-3-6-11-9(2)10-7-4-5-8-12(10)13-11;1-2/h3-8H,1-2H2;1-2H3/b11-6+;
InChIKeyXAFQRHZBYPSKJB-ICSBZGNSSA-N
MW200.28 g/mol
LogP2.84
Rot. Bonds1

About ethane;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran

ethane;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran (PubChem CID 144636114) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is ethane;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran.

Molecular Properties

Compound Nameethane;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran
PubChem CID144636114
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Nameethane;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran
SMILESC=C/C=c1/oc2ccccc2c1=C.CC
InChIInChI=1S/C12H10O.C2H6/c1-3-6-11-9(2)10-7-4-5-8-12(10)13-11;1-2/h3-8H,1-2H2;1-2H3/b11-6+;
InChIKeyXAFQRHZBYPSKJB-ICSBZGNSSA-N
XLogP2.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methylcyclohexa-1,3-diene;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran;prop-1-ene
CID 177209632
ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-benzofuran
CID 142403527
(3E)-8-methyl-4-methylidene-3-prop-2-enylideneisochromen-1-one
CID 144886948
(2E,3Z)-2,3-di(ethylidene)-1-benzofuran;ethane
CID 142109004
4-methylidene-3-prop-2-enylidene-2,1-benzoxaphosphinin-1-ium 1-oxide
CID 123980732
(10E)-9-methylidene-10-prop-2-enylidenephenanthrene
CID 145283631
3,4-dideuterio-2-[(3E)-3-(3-methylidene-1-benzofuran-2-ylidene)prop-1-en-2-yl]-5-(trideuteriomethyl)pyridine
CID 154588252
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
ethane;2-methyl-1-benzofuran-3-thiol
CID 145124466
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
2,3-dimethyl-1-benzofuran;ethane
CID 142047308

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran?
The IUPAC name of ethane;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran (CID 144636114) is ethane;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran.
What is the SMILES notation for ethane;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran?
The canonical SMILES for ethane;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran is C=C/C=c1/oc2ccccc2c1=C.CC.
What is the InChIKey of ethane;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran?
The InChIKey is XAFQRHZBYPSKJB-ICSBZGNSSA-N. The full InChI is InChI=1S/C12H10O.C2H6/c1-3-6-11-9(2)10-7-4-5-8-12(10)13-11;1-2/h3-8H,1-2H2;1-2H3/b11-6+;.
What are the key properties of ethane;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran?
ethane;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran has a molecular weight of 200.28 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran is sourced from PubChem (CID 144636114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).