(3Z)-2-methylidene-3-propylidene-1-benzofuran

C12H12O — CID 144554167

IUPAC(3Z)-2-methylidene-3-propylidene-1-benzofuran
SMILESC=c1oc2ccccc2/c1=C/CC
InChIInChI=1S/C12H12O/c1-3-6-10-9(2)13-12-8-5-4-7-11(10)12/h4-8H,2-3H2,1H3/b10-6+
InChIKeyUZVGRDXDUJISIX-UXBLZVDNSA-N
MW172.23 g/mol
LogP2.03
Rot. Bonds1

About (3Z)-2-methylidene-3-propylidene-1-benzofuran

(3Z)-2-methylidene-3-propylidene-1-benzofuran (PubChem CID 144554167) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is (3Z)-2-methylidene-3-propylidene-1-benzofuran.

Molecular Properties

Compound Name(3Z)-2-methylidene-3-propylidene-1-benzofuran
PubChem CID144554167
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name(3Z)-2-methylidene-3-propylidene-1-benzofuran
SMILESC=c1oc2ccccc2/c1=C/CC
InChIInChI=1S/C12H12O/c1-3-6-10-9(2)13-12-8-5-4-7-11(10)12/h4-8H,2-3H2,1H3/b10-6+
InChIKeyUZVGRDXDUJISIX-UXBLZVDNSA-N
XLogP2.03
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-methylidene-3-propylidene-1-benzofuran?
The IUPAC name of (3Z)-2-methylidene-3-propylidene-1-benzofuran (CID 144554167) is (3Z)-2-methylidene-3-propylidene-1-benzofuran.
What is the SMILES notation for (3Z)-2-methylidene-3-propylidene-1-benzofuran?
The canonical SMILES for (3Z)-2-methylidene-3-propylidene-1-benzofuran is C=c1oc2ccccc2/c1=C/CC.
What is the InChIKey of (3Z)-2-methylidene-3-propylidene-1-benzofuran?
The InChIKey is UZVGRDXDUJISIX-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H12O/c1-3-6-10-9(2)13-12-8-5-4-7-11(10)12/h4-8H,2-3H2,1H3/b10-6+.
What are the key properties of (3Z)-2-methylidene-3-propylidene-1-benzofuran?
(3Z)-2-methylidene-3-propylidene-1-benzofuran has a molecular weight of 172.23 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methylidene-3-propylidene-1-benzofuran is sourced from PubChem (CID 144554167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).