(1R)-7-chloro-1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one

C13H11ClO4 — CID 72707185

IUPAC(1R)-7-chloro-1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one
SMILESCc1cc2oc3c(c(=O)c2c(O)c1Cl)[C@H](O)CC3
InChIInChI=1S/C13H11ClO4/c1-5-4-8-10(13(17)11(5)14)12(16)9-6(15)2-3-7(9)18-8/h4,6,15,17H,2-3H2,1H3/t6-/m1/s1
InChIKeyGDCLXDSAILTPDM-ZCFIWIBFSA-N
MW266.68 g/mol
LogP2.44
Rot. Bonds

About (1R)-7-chloro-1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one

(1R)-7-chloro-1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one (PubChem CID 72707185) has the molecular formula C13H11ClO4 and a molecular weight of 266.68 g/mol. Its IUPAC name is (1R)-7-chloro-1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one.

Molecular Properties

Compound Name(1R)-7-chloro-1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one
PubChem CID72707185
Molecular FormulaC13H11ClO4
Molecular Weight266.68 g/mol
Exact Mass266.03
IUPAC Name(1R)-7-chloro-1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one
SMILESCc1cc2oc3c(c(=O)c2c(O)c1Cl)[C@H](O)CC3
InChIInChI=1S/C13H11ClO4/c1-5-4-8-10(13(17)11(5)14)12(16)9-6(15)2-3-7(9)18-8/h4,6,15,17H,2-3H2,1H3/t6-/m1/s1
InChIKeyGDCLXDSAILTPDM-ZCFIWIBFSA-N
XLogP2.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-7-chloro-1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one?
The IUPAC name of (1R)-7-chloro-1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one (CID 72707185) is (1R)-7-chloro-1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one.
What is the SMILES notation for (1R)-7-chloro-1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one?
The canonical SMILES for (1R)-7-chloro-1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one is Cc1cc2oc3c(c(=O)c2c(O)c1Cl)[C@H](O)CC3.
What is the InChIKey of (1R)-7-chloro-1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one?
The InChIKey is GDCLXDSAILTPDM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C13H11ClO4/c1-5-4-8-10(13(17)11(5)14)12(16)9-6(15)2-3-7(9)18-8/h4,6,15,17H,2-3H2,1H3/t6-/m1/s1.
What are the key properties of (1R)-7-chloro-1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one?
(1R)-7-chloro-1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one has a molecular weight of 266.68 g/mol, XLogP of 2.44, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-chloro-1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one is sourced from PubChem (CID 72707185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).