CID 53380131

C14H9O2 — CID 53380131

IUPAC—
SMILESO=C1/C(=C/[C]2[CH][CH][CH][CH]2)Oc2ccccc21
InChIInChI=1S/C14H9O2/c15-14-11-7-3-4-8-12(11)16-13(14)9-10-5-1-2-6-10/h1-9H/b13-9-
InChIKeyFKRDJRCLZVSDFS-LCYFTJDESA-N
MW209.22 g/mol
LogP2.55
Rot. Bonds1

About CID 53380131

CID 53380131 (PubChem CID 53380131) has the molecular formula C14H9O2 and a molecular weight of 209.22 g/mol.

Molecular Properties

Compound NameCID 53380131
PubChem CID53380131
Molecular FormulaC14H9O2
Molecular Weight209.22 g/mol
Exact Mass209.06
IUPAC Name—
SMILESO=C1/C(=C/[C]2[CH][CH][CH][CH]2)Oc2ccccc21
InChIInChI=1S/C14H9O2/c15-14-11-7-3-4-8-12(11)16-13(14)9-10-5-1-2-6-10/h1-9H/b13-9-
InChIKeyFKRDJRCLZVSDFS-LCYFTJDESA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2E)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 24762442
2-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]benzonitrile
CID 138675407
(2Z)-2-[(3-bromothiophen-2-yl)methylidene]-1-benzofuran-3-one
CID 138675403
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one
CID 14547034
(2E)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 127256784
(2Z)-2-[(5-chlorothiophen-2-yl)methylidene]-1-benzofuran-3-one
CID 142733229
2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 619835
(2Z)-2-(pyren-1-ylmethylidene)-1-benzofuran-3-one
CID 102198962
(2Z)-2-[(3-bromo-2-pyridinyl)methylidene]-1-benzofuran-3-one
CID 155262586
(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-benzofuran-3-one
CID 71453621
2-hydroxy-5-[(E)-(3-oxo-1-benzofuran-2-ylidene)methyl]benzoic acid
CID 6447057

Frequently Asked Questions

What is the IUPAC name of CID 53380131?
The IUPAC name of CID 53380131 (CID 53380131) is not available.
What is the SMILES notation for CID 53380131?
The canonical SMILES for CID 53380131 is O=C1/C(=C/[C]2[CH][CH][CH][CH]2)Oc2ccccc21.
What is the InChIKey of CID 53380131?
The InChIKey is FKRDJRCLZVSDFS-LCYFTJDESA-N. The full InChI is InChI=1S/C14H9O2/c15-14-11-7-3-4-8-12(11)16-13(14)9-10-5-1-2-6-10/h1-9H/b13-9-.
What are the key properties of CID 53380131?
CID 53380131 has a molecular weight of 209.22 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 53380131 is sourced from PubChem (CID 53380131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).