(3E)-4-hydroxy-3-(1-phenylethylidene)-4H-chromen-2-one

C17H14O3 — CID 102170933

IUPAC(3E)-4-hydroxy-3-(1-phenylethylidene)-4H-chromen-2-one
SMILESC/C(=C1\C(=O)Oc2ccccc2C1O)c1ccccc1
InChIInChI=1S/C17H14O3/c1-11(12-7-3-2-4-8-12)15-16(18)13-9-5-6-10-14(13)20-17(15)19/h2-10,16,18H,1H3/b15-11+
InChIKeyBLFZLNHMBLJYHY-RVDMUPIBSA-N
MW266.30 g/mol
LogP3.11
Rot. Bonds1

About (3E)-4-hydroxy-3-(1-phenylethylidene)-4H-chromen-2-one

(3E)-4-hydroxy-3-(1-phenylethylidene)-4H-chromen-2-one (PubChem CID 102170933) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3E)-4-hydroxy-3-(1-phenylethylidene)-4H-chromen-2-one.

Molecular Properties

Compound Name(3E)-4-hydroxy-3-(1-phenylethylidene)-4H-chromen-2-one
PubChem CID102170933
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name(3E)-4-hydroxy-3-(1-phenylethylidene)-4H-chromen-2-one
SMILESC/C(=C1\C(=O)Oc2ccccc2C1O)c1ccccc1
InChIInChI=1S/C17H14O3/c1-11(12-7-3-2-4-8-12)15-16(18)13-9-5-6-10-14(13)20-17(15)19/h2-10,16,18H,1H3/b15-11+
InChIKeyBLFZLNHMBLJYHY-RVDMUPIBSA-N
XLogP3.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-methylidene-4H-chromen-2-one
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(3Z)-3-[1-(3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepin-4-ium-1-yl)ethylidene]-4-hydroxy-4H-chromen-2-one
CID 166447181
(1S,2R,11S,12R)-9,14-dioxapentacyclo[10.8.0.02,11.03,8.015,20]icosa-3,5,7,15,17,19-hexaene-10,13-dione
CID 7730187
(1R,2R,11S,12R)-9,14-dioxapentacyclo[10.8.0.02,11.03,8.015,20]icosa-3,5,7,15,17,19-hexaene-10,13-dione
CID 6541116
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CID 70420478
(10Z)-10-(1-phenylethylidene)-1,2,3,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5-one
CID 11437722
4-(2,2,2-trifluoroacetyl)-4H-chromene-2,3-dione
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Frequently Asked Questions

What is the IUPAC name of (3E)-4-hydroxy-3-(1-phenylethylidene)-4H-chromen-2-one?
The IUPAC name of (3E)-4-hydroxy-3-(1-phenylethylidene)-4H-chromen-2-one (CID 102170933) is (3E)-4-hydroxy-3-(1-phenylethylidene)-4H-chromen-2-one.
What is the SMILES notation for (3E)-4-hydroxy-3-(1-phenylethylidene)-4H-chromen-2-one?
The canonical SMILES for (3E)-4-hydroxy-3-(1-phenylethylidene)-4H-chromen-2-one is C/C(=C1\C(=O)Oc2ccccc2C1O)c1ccccc1.
What is the InChIKey of (3E)-4-hydroxy-3-(1-phenylethylidene)-4H-chromen-2-one?
The InChIKey is BLFZLNHMBLJYHY-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H14O3/c1-11(12-7-3-2-4-8-12)15-16(18)13-9-5-6-10-14(13)20-17(15)19/h2-10,16,18H,1H3/b15-11+.
What are the key properties of (3E)-4-hydroxy-3-(1-phenylethylidene)-4H-chromen-2-one?
(3E)-4-hydroxy-3-(1-phenylethylidene)-4H-chromen-2-one has a molecular weight of 266.30 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-hydroxy-3-(1-phenylethylidene)-4H-chromen-2-one is sourced from PubChem (CID 102170933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).