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

C23H16O2 — CID 126374714

IUPAC(2E)-2-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-3H-inden-1-one
SMILESC#CCOc1ccc2ccccc2c1/C=C1\Cc2ccccc2C1=O
InChIInChI=1S/C23H16O2/c1-2-13-25-22-12-11-16-7-3-5-9-19(16)21(22)15-18-14-17-8-4-6-10-20(17)23(18)24/h1,3-12,15H,13-14H2/b18-15+
InChIKeyKNRMIIVWTGBHFO-OBGWFSINSA-N
MW324.38 g/mol
LogP4.67
Rot. Bonds3

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

(2E)-2-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-3H-inden-1-one (PubChem CID 126374714) has the molecular formula C23H16O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2E)-2-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-3H-inden-1-one.

Molecular Properties

Compound Name(2E)-2-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-3H-inden-1-one
PubChem CID126374714
Molecular FormulaC23H16O2
Molecular Weight324.38 g/mol
Exact Mass324.12
IUPAC Name(2E)-2-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-3H-inden-1-one
SMILESC#CCOc1ccc2ccccc2c1/C=C1\Cc2ccccc2C1=O
InChIInChI=1S/C23H16O2/c1-2-13-25-22-12-11-16-7-3-5-9-19(16)21(22)15-18-14-17-8-4-6-10-20(17)23(18)24/h1,3-12,15H,13-14H2/b18-15+
InChIKeyKNRMIIVWTGBHFO-OBGWFSINSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]-3H-inden-1-one
CID 126377647
5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 2913952
2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene
CID 11175897
(5E)-2-(4-fluorophenyl)imino-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one
CID 137080362
3-phenyl-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2919178
2-[(2,3,4,5,6-pentafluorophenyl)methylidene]-3H-inden-1-one
CID 5001252
2-[(4-prop-2-ynoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 175422921
(2E)-2-[(3-ethoxy-2-methoxyphenyl)methylidene]-3H-inden-1-one
CID 2663844
(1R,2R,6R,7R)-4-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98826149
1-prop-2-enyl-2-prop-2-ynoxynaphthalene
CID 71425133
2-propylidene-3H-inden-1-one
CID 131043443
(2E)-2-[(2-chlorophenyl)methylidene]-3H-inden-1-one
CID 2305460

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-3H-inden-1-one?
The IUPAC name of (2E)-2-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-3H-inden-1-one (CID 126374714) is (2E)-2-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-3H-inden-1-one.
What is the SMILES notation for (2E)-2-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-3H-inden-1-one?
The canonical SMILES for (2E)-2-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-3H-inden-1-one is C#CCOc1ccc2ccccc2c1/C=C1\Cc2ccccc2C1=O.
What is the InChIKey of (2E)-2-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-3H-inden-1-one?
The InChIKey is KNRMIIVWTGBHFO-OBGWFSINSA-N. The full InChI is InChI=1S/C23H16O2/c1-2-13-25-22-12-11-16-7-3-5-9-19(16)21(22)15-18-14-17-8-4-6-10-20(17)23(18)24/h1,3-12,15H,13-14H2/b18-15+.
What are the key properties of (2E)-2-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-3H-inden-1-one?
(2E)-2-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-3H-inden-1-one has a molecular weight of 324.38 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-3H-inden-1-one is sourced from PubChem (CID 126374714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).