6-chloro-2-cyclopenta-1,3-dien-1-ylchromen-4-one

C14H9ClO2 — CID 87386547

IUPAC6-chloro-2-cyclopenta-1,3-dien-1-ylchromen-4-one
SMILESO=c1cc(C2=CC=CC2)oc2ccc(Cl)cc12
InChIInChI=1S/C14H9ClO2/c15-10-5-6-13-11(7-10)12(16)8-14(17-13)9-3-1-2-4-9/h1-3,5-8H,4H2
InChIKeyVEJCGGGEVBTJOJ-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.79
Rot. Bonds1

About 6-chloro-2-cyclopenta-1,3-dien-1-ylchromen-4-one

6-chloro-2-cyclopenta-1,3-dien-1-ylchromen-4-one (PubChem CID 87386547) has the molecular formula C14H9ClO2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 6-chloro-2-cyclopenta-1,3-dien-1-ylchromen-4-one.

Molecular Properties

Compound Name6-chloro-2-cyclopenta-1,3-dien-1-ylchromen-4-one
PubChem CID87386547
Molecular FormulaC14H9ClO2
Molecular Weight244.68 g/mol
Exact Mass244.03
IUPAC Name6-chloro-2-cyclopenta-1,3-dien-1-ylchromen-4-one
SMILESO=c1cc(C2=CC=CC2)oc2ccc(Cl)cc12
InChIInChI=1S/C14H9ClO2/c15-10-5-6-13-11(7-10)12(16)8-14(17-13)9-3-1-2-4-9/h1-3,5-8H,4H2
InChIKeyVEJCGGGEVBTJOJ-UHFFFAOYSA-N
XLogP3.79
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(4-chlorophenyl)chromen-4-one
CID 688871
6-chloro-2-(2-chlorophenyl)chromen-4-one
CID 688872
2-(4-aminophenyl)-6-chlorochromen-4-one
CID 82046480
2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one
CID 2017751
6-chloro-2-(trifluoromethyl)chromen-4-one
CID 746049
6-chloro-2-(1,1,2,2-tetrafluoroethyl)chromen-4-one
CID 715720
6-chlorochromen-4-one;ethane
CID 174636561
6-chloro-2-[(E)-2-(dimethylamino)ethenyl]chromen-4-one
CID 639090
6-chloro-2-(4-methoxy-3-prop-2-enoxyphenyl)chromen-4-one
CID 139217452
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 6-chloro-4-oxochromene-2-carboxylate
CID 8877271
6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 9068735
6-chloro-3-propan-2-yl-2-propan-2-ylimino-1,3-benzoxazin-4-one
CID 10779171

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopenta-1,3-dien-1-ylchromen-4-one?
The IUPAC name of 6-chloro-2-cyclopenta-1,3-dien-1-ylchromen-4-one (CID 87386547) is 6-chloro-2-cyclopenta-1,3-dien-1-ylchromen-4-one.
What is the SMILES notation for 6-chloro-2-cyclopenta-1,3-dien-1-ylchromen-4-one?
The canonical SMILES for 6-chloro-2-cyclopenta-1,3-dien-1-ylchromen-4-one is O=c1cc(C2=CC=CC2)oc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-cyclopenta-1,3-dien-1-ylchromen-4-one?
The InChIKey is VEJCGGGEVBTJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO2/c15-10-5-6-13-11(7-10)12(16)8-14(17-13)9-3-1-2-4-9/h1-3,5-8H,4H2.
What are the key properties of 6-chloro-2-cyclopenta-1,3-dien-1-ylchromen-4-one?
6-chloro-2-cyclopenta-1,3-dien-1-ylchromen-4-one has a molecular weight of 244.68 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopenta-1,3-dien-1-ylchromen-4-one is sourced from PubChem (CID 87386547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).