3-benzylidene-1-benzofuran

C15H12O — CID 72960863

IUPAC3-benzylidene-1-benzofuran
SMILESC(=C1COc2ccccc21)c1ccccc1
InChIInChI=1S/C15H12O/c1-2-6-12(7-3-1)10-13-11-16-15-9-5-4-8-14(13)15/h1-10H,11H2
InChIKeyBEPMNNJZLUZFBX-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.62
Rot. Bonds1

About 3-benzylidene-1-benzofuran

3-benzylidene-1-benzofuran (PubChem CID 72960863) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-benzylidene-1-benzofuran.

Molecular Properties

Compound Name3-benzylidene-1-benzofuran
PubChem CID72960863
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name3-benzylidene-1-benzofuran
SMILESC(=C1COc2ccccc21)c1ccccc1
InChIInChI=1S/C15H12O/c1-2-6-12(7-3-1)10-13-11-16-15-9-5-4-8-14(13)15/h1-10H,11H2
InChIKeyBEPMNNJZLUZFBX-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1-benzofuran-3-ylidenemethyl)phenol
CID 175329416
(3E)-3-(fluoromethylidene)-1-benzofuran
CID 177400604
3-(chloromethylidene)-1-benzofuran
CID 177398897
3-[(4-phenoxyphenyl)methylidene]chromen-4-one
CID 4029259
3-[(4-fluorophenyl)methylidene]chromen-4-one
CID 901865
3-[(4-bromophenyl)methylidene]chromen-4-one
CID 915612
(3Z)-3-[(3-methylphenyl)methylidene]chromen-4-one
CID 2623286
3-[[4-(trifluoromethyl)phenyl]methylidene]chromen-4-one
CID 2733028
[(E)-1-benzofuran-3-ylidenemethyl]-tributylstannane
CID 177489225
N-[4-[(E)-(4-oxochromen-3-ylidene)methyl]phenyl]acetamide
CID 17391461
(3Z)-3-[[4-(difluoromethoxy)phenyl]methylidene]chromen-4-one
CID 2444531
3-[4-[(Z)-(4-oxochromen-3-ylidene)methyl]phenoxy]propanoic acid
CID 94132512

Frequently Asked Questions

What is the IUPAC name of 3-benzylidene-1-benzofuran?
The IUPAC name of 3-benzylidene-1-benzofuran (CID 72960863) is 3-benzylidene-1-benzofuran.
What is the SMILES notation for 3-benzylidene-1-benzofuran?
The canonical SMILES for 3-benzylidene-1-benzofuran is C(=C1COc2ccccc21)c1ccccc1.
What is the InChIKey of 3-benzylidene-1-benzofuran?
The InChIKey is BEPMNNJZLUZFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c1-2-6-12(7-3-1)10-13-11-16-15-9-5-4-8-14(13)15/h1-10H,11H2.
What are the key properties of 3-benzylidene-1-benzofuran?
3-benzylidene-1-benzofuran has a molecular weight of 208.26 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylidene-1-benzofuran is sourced from PubChem (CID 72960863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).