(3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one

C17H12O3 — CID 6272528

IUPAC(3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one
SMILESO=C1OC(c2ccccc2)=C/C1=C/c1ccccc1O
InChIInChI=1S/C17H12O3/c18-15-9-5-4-8-13(15)10-14-11-16(20-17(14)19)12-6-2-1-3-7-12/h1-11,18H/b14-10-
InChIKeyAFWBUFRBKPNROF-UVTDQMKNSA-N
MW264.28 g/mol
LogP3.37
Rot. Bonds2

About (3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one

(3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one (PubChem CID 6272528) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is (3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one.

Molecular Properties

Compound Name(3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one
PubChem CID6272528
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name(3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one
SMILESO=C1OC(c2ccccc2)=C/C1=C/c1ccccc1O
InChIInChI=1S/C17H12O3/c18-15-9-5-4-8-13(15)10-14-11-16(20-17(14)19)12-6-2-1-3-7-12/h1-11,18H/b14-10-
InChIKeyAFWBUFRBKPNROF-UVTDQMKNSA-N
XLogP3.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Benzyl Salicylate
CID 8363
O-Coumaric Acid
CID 637540
Bisnoryangonin
CID 54680478
2-Methoxycinnamic acid
CID 734154
2-Propenoic acid, 3-(4-hydroxyphenyl)-, phenylmethyl ester, (2E)-
CID 10083644
2-Methoxycinnamic acid, (Z)-
CID 1622530
(2E)-3-[2-(prop-2-en-1-yloxy)phenyl]prop-2-enoic acid
CID 2064023
Coumarinic acid
CID 5280841
Aspulvinone E
CID 54675753
(E)-4-Hydroxyphenethyl 3-(4'-Hydroxyphenyl)Acrylate
CID 16119626
2H-chromene-3-carboxylic acid
CID 322304
Cis-2-coumarate
CID 54714352

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one?
The IUPAC name of (3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one (CID 6272528) is (3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one.
What is the SMILES notation for (3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one?
The canonical SMILES for (3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one is O=C1OC(c2ccccc2)=C/C1=C/c1ccccc1O.
What is the InChIKey of (3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one?
The InChIKey is AFWBUFRBKPNROF-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H12O3/c18-15-9-5-4-8-13(15)10-14-11-16(20-17(14)19)12-6-2-1-3-7-12/h1-11,18H/b14-10-.
What are the key properties of (3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one?
(3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one has a molecular weight of 264.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one is sourced from PubChem (CID 6272528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).