6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-one

C17H14O3 — CID 174901660

IUPAC6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-one
SMILESCOc1ccc(C=C2Cc3ccc(O)cc3C2=O)cc1
InChIInChI=1S/C17H14O3/c1-20-15-6-2-11(3-7-15)8-13-9-12-4-5-14(18)10-16(12)17(13)19/h2-8,10,18H,9H2,1H3
InChIKeyJCUMHUYGUXQLNY-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.22
Rot. Bonds2

About 6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-one

6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-one (PubChem CID 174901660) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-one.

Molecular Properties

Compound Name6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-one
PubChem CID174901660
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-one
SMILESCOc1ccc(C=C2Cc3ccc(O)cc3C2=O)cc1
InChIInChI=1S/C17H14O3/c1-20-15-6-2-11(3-7-15)8-13-9-12-4-5-14(18)10-16(12)17(13)19/h2-8,10,18H,9H2,1H3
InChIKeyJCUMHUYGUXQLNY-UHFFFAOYSA-N
XLogP3.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-one?
The IUPAC name of 6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-one (CID 174901660) is 6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-one.
What is the SMILES notation for 6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-one?
The canonical SMILES for 6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-one is COc1ccc(C=C2Cc3ccc(O)cc3C2=O)cc1.
What is the InChIKey of 6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-one?
The InChIKey is JCUMHUYGUXQLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-20-15-6-2-11(3-7-15)8-13-9-12-4-5-14(18)10-16(12)17(13)19/h2-8,10,18H,9H2,1H3.
What are the key properties of 6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-one?
6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-one has a molecular weight of 266.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-one is sourced from PubChem (CID 174901660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).