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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Related Compounds

(2Z)-6-methoxy-2-[[4-(4-phenylpiperazin-1-yl)phenyl]methylidene]-3H-inden-1-one
CID 134130901
(2E)-2-[(4-chlorophenyl)methylidene]-5-methoxy-3H-inden-1-one
CID 58855563
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-methoxy-3H-inden-1-one
CID 53315284
2-[(3,5-dimethoxyphenyl)methylidene]-5-methoxy-3H-inden-1-one
CID 54264295
2-[(2-aminopyrimidin-5-yl)methylidene]-6-hydroxy-3H-inden-1-one
CID 175388936
(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one
CID 71754473
(2E)-5-hydroxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one
CID 10105573
N-[4-[(E)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methyl]phenyl]-2-[methyl(propyl)amino]acetamide
CID 166642387
sodium (Z)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methanolate
CID 75356207
2-[(3-chlorophenyl)methylidene]-5-methoxy-3H-inden-1-one
CID 175387441
(2Z)-2-[(4-chlorophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one
CID 6048945
(2Z)-5,6-dimethoxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one
CID 11652068

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).