(3Z)-3-benzylidene-1-propan-2-yloxy-1H-2-benzofuran

C18H18O2 — CID 135012099

IUPAC(3Z)-3-benzylidene-1-propan-2-yloxy-1H-2-benzofuran
SMILESCC(C)OC1O/C(=C\c2ccccc2)c2ccccc21
InChIInChI=1S/C18H18O2/c1-13(2)19-18-16-11-7-6-10-15(16)17(20-18)12-14-8-4-3-5-9-14/h3-13,18H,1-2H3/b17-12-
InChIKeyRYPJXRZUOVWYOX-ATVHPVEESA-N
MW266.34 g/mol
LogP4.64
Rot. Bonds3

About (3Z)-3-benzylidene-1-propan-2-yloxy-1H-2-benzofuran

(3Z)-3-benzylidene-1-propan-2-yloxy-1H-2-benzofuran (PubChem CID 135012099) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (3Z)-3-benzylidene-1-propan-2-yloxy-1H-2-benzofuran.

Molecular Properties

Compound Name(3Z)-3-benzylidene-1-propan-2-yloxy-1H-2-benzofuran
PubChem CID135012099
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(3Z)-3-benzylidene-1-propan-2-yloxy-1H-2-benzofuran
SMILESCC(C)OC1O/C(=C\c2ccccc2)c2ccccc21
InChIInChI=1S/C18H18O2/c1-13(2)19-18-16-11-7-6-10-15(16)17(20-18)12-14-8-4-3-5-9-14/h3-13,18H,1-2H3/b17-12-
InChIKeyRYPJXRZUOVWYOX-ATVHPVEESA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-benzylidene-1-propan-2-yloxy-1H-2-benzofuran?
The IUPAC name of (3Z)-3-benzylidene-1-propan-2-yloxy-1H-2-benzofuran (CID 135012099) is (3Z)-3-benzylidene-1-propan-2-yloxy-1H-2-benzofuran.
What is the SMILES notation for (3Z)-3-benzylidene-1-propan-2-yloxy-1H-2-benzofuran?
The canonical SMILES for (3Z)-3-benzylidene-1-propan-2-yloxy-1H-2-benzofuran is CC(C)OC1O/C(=C\c2ccccc2)c2ccccc21.
What is the InChIKey of (3Z)-3-benzylidene-1-propan-2-yloxy-1H-2-benzofuran?
The InChIKey is RYPJXRZUOVWYOX-ATVHPVEESA-N. The full InChI is InChI=1S/C18H18O2/c1-13(2)19-18-16-11-7-6-10-15(16)17(20-18)12-14-8-4-3-5-9-14/h3-13,18H,1-2H3/b17-12-.
What are the key properties of (3Z)-3-benzylidene-1-propan-2-yloxy-1H-2-benzofuran?
(3Z)-3-benzylidene-1-propan-2-yloxy-1H-2-benzofuran has a molecular weight of 266.34 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-benzylidene-1-propan-2-yloxy-1H-2-benzofuran is sourced from PubChem (CID 135012099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).