(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]-3H-inden-1-one

C20H14O2 — CID 126377647

IUPAC(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]-3H-inden-1-one
SMILESO=C1/C(=C/c2c(O)ccc3ccccc23)Cc2ccccc21
InChIInChI=1S/C20H14O2/c21-19-10-9-13-5-1-3-7-16(13)18(19)12-15-11-14-6-2-4-8-17(14)20(15)22/h1-10,12,21H,11H2/b15-12+
InChIKeySGWMWSOFXQIAAS-NTCAYCPXSA-N
MW286.33 g/mol
LogP4.37
Rot. Bonds1

About (2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]-3H-inden-1-one

(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]-3H-inden-1-one (PubChem CID 126377647) has the molecular formula C20H14O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]-3H-inden-1-one.

Molecular Properties

Compound Name(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]-3H-inden-1-one
PubChem CID126377647
Molecular FormulaC20H14O2
Molecular Weight286.33 g/mol
Exact Mass286.10
IUPAC Name(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]-3H-inden-1-one
SMILESO=C1/C(=C/c2c(O)ccc3ccccc23)Cc2ccccc21
InChIInChI=1S/C20H14O2/c21-19-10-9-13-5-1-3-7-16(13)18(19)12-15-11-14-6-2-4-8-17(14)20(15)22/h1-10,12,21H,11H2/b15-12+
InChIKeySGWMWSOFXQIAAS-NTCAYCPXSA-N
XLogP4.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-3H-inden-1-one
CID 126374714
(2E)-2-[(3,4-dihydroxyphenyl)methylidene]-3H-inden-1-one
CID 6474892
2-[(2,3,4,5,6-pentafluorophenyl)methylidene]-3H-inden-1-one
CID 5001252
2-[(3-chloro-4-hydroxyphenyl)methylidene]-3H-inden-1-one
CID 75268539
2-propylidene-3H-inden-1-one
CID 131043443
(2Z)-2-[(4-ethylphenyl)methylidene]-3H-inden-1-one
CID 2697157
(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one
CID 5386986
(2E)-2-(aminomethylidene)-3H-inden-1-one
CID 3037167
2-ethylidene-3H-inden-1-one
CID 58198195
(2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one
CID 6251160
(2E)-2-[(4-bromophenyl)methylidene]-3H-inden-1-one
CID 5358072
(2E)-2-[(2-bromophenyl)methylidene]-3H-inden-1-one
CID 2623394

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]-3H-inden-1-one?
The IUPAC name of (2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]-3H-inden-1-one (CID 126377647) is (2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]-3H-inden-1-one.
What is the SMILES notation for (2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]-3H-inden-1-one?
The canonical SMILES for (2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]-3H-inden-1-one is O=C1/C(=C/c2c(O)ccc3ccccc23)Cc2ccccc21.
What is the InChIKey of (2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]-3H-inden-1-one?
The InChIKey is SGWMWSOFXQIAAS-NTCAYCPXSA-N. The full InChI is InChI=1S/C20H14O2/c21-19-10-9-13-5-1-3-7-16(13)18(19)12-15-11-14-6-2-4-8-17(14)20(15)22/h1-10,12,21H,11H2/b15-12+.
What are the key properties of (2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]-3H-inden-1-one?
(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]-3H-inden-1-one has a molecular weight of 286.33 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]-3H-inden-1-one is sourced from PubChem (CID 126377647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).