(2Z)-4-chloro-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3H-inden-1-one

C17H12ClFO2 — CID 60593767

IUPAC(2Z)-4-chloro-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3H-inden-1-one
SMILESCOc1ccc(/C=C2/Cc3c(Cl)cccc3C2=O)cc1F
InChIInChI=1S/C17H12ClFO2/c1-21-16-6-5-10(8-15(16)19)7-11-9-13-12(17(11)20)3-2-4-14(13)18/h2-8H,9H2,1H3/b11-7-
InChIKeyUUVJPAPZWQUDHM-XFFZJAGNSA-N
MW302.73 g/mol
LogP4.31
Rot. Bonds2

About (2Z)-4-chloro-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3H-inden-1-one

(2Z)-4-chloro-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3H-inden-1-one (PubChem CID 60593767) has the molecular formula C17H12ClFO2 and a molecular weight of 302.73 g/mol. Its IUPAC name is (2Z)-4-chloro-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3H-inden-1-one.

Molecular Properties

Compound Name(2Z)-4-chloro-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3H-inden-1-one
PubChem CID60593767
Molecular FormulaC17H12ClFO2
Molecular Weight302.73 g/mol
Exact Mass302.05
IUPAC Name(2Z)-4-chloro-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3H-inden-1-one
SMILESCOc1ccc(/C=C2/Cc3c(Cl)cccc3C2=O)cc1F
InChIInChI=1S/C17H12ClFO2/c1-21-16-6-5-10(8-15(16)19)7-11-9-13-12(17(11)20)3-2-4-14(13)18/h2-8H,9H2,1H3/b11-7-
InChIKeyUUVJPAPZWQUDHM-XFFZJAGNSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 54.31
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

4-chloro-2-[(4-chlorophenyl)methylidene]-3H-inden-1-one
CID 175440685
(2E)-4-hydroxy-2-[(4-methoxy-3-methylphenyl)methylidene]-3H-inden-1-one
CID 24583172
4-chloro-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3H-inden-1-one
CID 76871372
(2E)-2-[(3-ethoxy-4-methoxyphenyl)methylidene]-4-hydroxy-3H-inden-1-one
CID 24583137
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-8-fluoro-1,1-dioxothiochromen-4-one
CID 17425582
(2E)-2-[(3-chloro-4-hydroxyphenyl)methylidene]-4-hydroxy-3H-inden-1-one
CID 52771967
(2E)-2-[(3-chloro-4-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 22918690
(3E)-6-bromo-3-[(3-fluoro-4-methoxyphenyl)methylidene]chromen-4-one
CID 31247389
(2E)-4-chloro-N-methoxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-imine
CID 175907540
2-[(3-methoxy-4-methylsulfanylphenyl)methylidene]-3H-inden-1-one
CID 76878264
(2E)-2-[(2-chloro-6,7-dimethoxyquinolin-3-yl)methylidene]-4-methyl-3H-inden-1-one
CID 11653768
(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one
CID 5386986

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-chloro-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3H-inden-1-one?
The IUPAC name of (2Z)-4-chloro-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3H-inden-1-one (CID 60593767) is (2Z)-4-chloro-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3H-inden-1-one.
What is the SMILES notation for (2Z)-4-chloro-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3H-inden-1-one?
The canonical SMILES for (2Z)-4-chloro-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3H-inden-1-one is COc1ccc(/C=C2/Cc3c(Cl)cccc3C2=O)cc1F.
What is the InChIKey of (2Z)-4-chloro-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3H-inden-1-one?
The InChIKey is UUVJPAPZWQUDHM-XFFZJAGNSA-N. The full InChI is InChI=1S/C17H12ClFO2/c1-21-16-6-5-10(8-15(16)19)7-11-9-13-12(17(11)20)3-2-4-14(13)18/h2-8H,9H2,1H3/b11-7-.
What are the key properties of (2Z)-4-chloro-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3H-inden-1-one?
(2Z)-4-chloro-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3H-inden-1-one has a molecular weight of 302.73 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-chloro-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3H-inden-1-one is sourced from PubChem (CID 60593767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).