(3E)-3-[(4-chlorophenyl)methylidene]-4H-chromen-4-ol

C16H13ClO2 — CID 23266649

IUPAC(3E)-3-[(4-chlorophenyl)methylidene]-4H-chromen-4-ol
SMILESOC1/C(=C/c2ccc(Cl)cc2)COc2ccccc21
InChIInChI=1S/C16H13ClO2/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-9,16,18H,10H2/b12-9+
InChIKeyYBTXBEXCZDFWCZ-FMIVXFBMSA-N
MW272.73 g/mol
LogP3.85
Rot. Bonds1

About (3E)-3-[(4-chlorophenyl)methylidene]-4H-chromen-4-ol

(3E)-3-[(4-chlorophenyl)methylidene]-4H-chromen-4-ol (PubChem CID 23266649) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is (3E)-3-[(4-chlorophenyl)methylidene]-4H-chromen-4-ol.

Molecular Properties

Compound Name(3E)-3-[(4-chlorophenyl)methylidene]-4H-chromen-4-ol
PubChem CID23266649
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name(3E)-3-[(4-chlorophenyl)methylidene]-4H-chromen-4-ol
SMILESOC1/C(=C/c2ccc(Cl)cc2)COc2ccccc21
InChIInChI=1S/C16H13ClO2/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-9,16,18H,10H2/b12-9+
InChIKeyYBTXBEXCZDFWCZ-FMIVXFBMSA-N
XLogP3.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z)-2-[(4-chlorophenyl)methylidene]-3H-1-benzofuran-3-ol
CID 24806533
2-chloro-9H-xanthen-9-ol
CID 12734111
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol
CID 20840675
4-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 110751613
(2E)-2-[(4-methylphenyl)methylidene]-3H-1-benzofuran-3-ol
CID 42638994
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]oxan-4-ol
CID 6480430
(2E,5E)-2,5-dibenzylidenecyclopentan-1-ol
CID 12642987
2,3-dihydro-1-benzofuran-3-ol
CID 585896
[(3E)-3-(bromomethylidene)-4-hydroxy-4H-chromen-6-yl] thiohypochlorite
CID 141238875
(12R)-12-hydroxy-12H-benzo[d][1,3]benzodioxonin-13-one
CID 129388564
3-oxo-4H-chromene-4-carbonyl chloride
CID 22956846

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-chlorophenyl)methylidene]-4H-chromen-4-ol?
The IUPAC name of (3E)-3-[(4-chlorophenyl)methylidene]-4H-chromen-4-ol (CID 23266649) is (3E)-3-[(4-chlorophenyl)methylidene]-4H-chromen-4-ol.
What is the SMILES notation for (3E)-3-[(4-chlorophenyl)methylidene]-4H-chromen-4-ol?
The canonical SMILES for (3E)-3-[(4-chlorophenyl)methylidene]-4H-chromen-4-ol is OC1/C(=C/c2ccc(Cl)cc2)COc2ccccc21.
What is the InChIKey of (3E)-3-[(4-chlorophenyl)methylidene]-4H-chromen-4-ol?
The InChIKey is YBTXBEXCZDFWCZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C16H13ClO2/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-9,16,18H,10H2/b12-9+.
What are the key properties of (3E)-3-[(4-chlorophenyl)methylidene]-4H-chromen-4-ol?
(3E)-3-[(4-chlorophenyl)methylidene]-4H-chromen-4-ol has a molecular weight of 272.73 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-chlorophenyl)methylidene]-4H-chromen-4-ol is sourced from PubChem (CID 23266649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).