8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one

C12H9ClO2 — CID 10846599

IUPAC8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one
SMILESO=C1CC2=C(C1)c1cc(Cl)ccc1OC2
InChIInChI=1S/C12H9ClO2/c13-8-1-2-12-11(4-8)10-5-9(14)3-7(10)6-15-12/h1-2,4H,3,5-6H2
InChIKeyRCNGQMFWHAAICK-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.85
Rot. Bonds

About 8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one

8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one (PubChem CID 10846599) has the molecular formula C12H9ClO2 and a molecular weight of 220.66 g/mol. Its IUPAC name is 8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one.

Molecular Properties

Compound Name8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one
PubChem CID10846599
Molecular FormulaC12H9ClO2
Molecular Weight220.66 g/mol
Exact Mass220.03
IUPAC Name8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one
SMILESO=C1CC2=C(C1)c1cc(Cl)ccc1OC2
InChIInChI=1S/C12H9ClO2/c13-8-1-2-12-11(4-8)10-5-9(14)3-7(10)6-15-12/h1-2,4H,3,5-6H2
InChIKeyRCNGQMFWHAAICK-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-amino-3-(4,6-dichloro-2H-chromen-3-yl)propanoic acid
CID 170879562
4-bromo-7-chloro-3,4-dihydro-2H-1-benzoxepin-5-one
CID 70250695
6-chloro-4H-1,3-benzodioxin-2-one
CID 84769509
10-chloro-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one
CID 71520772
(3Z,22Z)-7,19-dichloro-13,33-dimethylidene-11,15,31,35-tetraoxapentacyclo[34.4.0.05,10.016,21.025,30]tetraconta-1(40),3,5(10),6,8,16(21),17,19,22,25,27,29,36,38-tetradecaene-2,24-dione
CID 102018059
2-(8-chloro-4H-thieno[3,2-c]chromen-2-yl)ethanamine
CID 170868982
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CID 159940901
5-(2,5-dichlorophenyl)cyclohex-4-ene-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one?
The IUPAC name of 8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one (CID 10846599) is 8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one.
What is the SMILES notation for 8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one?
The canonical SMILES for 8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one is O=C1CC2=C(C1)c1cc(Cl)ccc1OC2.
What is the InChIKey of 8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one?
The InChIKey is RCNGQMFWHAAICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2/c13-8-1-2-12-11(4-8)10-5-9(14)3-7(10)6-15-12/h1-2,4H,3,5-6H2.
What are the key properties of 8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one?
8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one has a molecular weight of 220.66 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one is sourced from PubChem (CID 10846599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).